Geometry & MOs

Info

ID:	110282
PubChem CID:	50318736
Reduced:	O4N5C30H41 (1)
Stoich.:	A4B5C30D41 (1)
Weight, g/mol:	533.300205
ΔH_f, kcal/mol:	-174.77
Dipole, Da:	2.79
IP(EA), eV:	-8.8(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[2-[(2-methylcyclohexyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC(C)C3=CC=CC=C3)C(=O)NC(C)C

DOS

IR

Vibrations