Geometry & MOs

Info

ID:	111451
PubChem CID:	50368572
Reduced:	ClO4N5C31H40 (1)
Stoich.:	AB4C5D31E40 (1)
Weight, g/mol:	464.242356
ΔH_f, kcal/mol:	-173.46
Dipole, Da:	6.96
IP(EA), eV:	-9.13(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-methyl-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)C(=O)NC)Cl)C(=O)NC4CCCCC4

DOS

IR

Vibrations