Geometry & MOs

Info

ID:	106850
PubChem CID:	50179013
Reduced:	O3N4C30H40 (1)
Stoich.:	A3B4C30D40 (1)
Weight, g/mol:	549.295119
ΔH_f, kcal/mol:	-126.4
Dipole, Da:	3.79
IP(EA), eV:	-8.81(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-carbamoyl-2-methoxyphenyl)-1-[1-[4-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC=C4C)C)C

DOS

IR

Vibrations