Geometry & MOs

Info

ID:

110600

PubChem CID:

50332410

Reduced:

O4N5C33H45 (1)

Stoich.:

A4B5C33D45 (1)

Weight, g/mol:

573.331505

ΔHf, kcal/mol:

-168.99

Dipole, Da:

8.22

IP(EA), eV:

 -8.9(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N4CCCC4

DOS

IR

Vibrations