Geometry & MOs

Info

ID:	91264
PubChem CID:	49974694
Reduced:	N5O5C33H43 (1)
Stoich.:	A5B5C33D43 (1)
Weight, g/mol:	535.279469
ΔH_f, kcal/mol:	-198.21
Dipole, Da:	11.11
IP(EA), eV:	-8.76(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylcarbamoyl)phenyl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4)NC(=O)C5CCCCC5

DOS

IR

Vibrations