Geometry & MOs

Info

ID:	268485
PubChem CID:	103599585
Reduced:	N3O4C24H29 (1)
Stoich.:	A3B4C24D29 (1)
Weight, g/mol:	449.231456
ΔH_f, kcal/mol:	-124.05
Dipole, Da:	3.15
IP(EA), eV:	-8.78(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(cyclohexanecarbonylamino)piperidin-1-yl]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CCC(CC1)NC(=O)C(=CC2=CC=CO2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations