Geometry & MOs

Info

ID:	167411
PubChem CID:	74823978
Reduced:	N2O5C17H21 (1)
Stoich.:	A2B5C17D21 (1)
Weight, g/mol:	345.181432
ΔH_f, kcal/mol:	-177.65
Dipole, Da:	4.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.076337
Charge, e:	-1

Chem-info

IUPAC name:

2-[[3-(butylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

C1CC(OC1)CNC(=O)C2=CC(=CC=C2)NC(=O)CCCC(=O)[O-]

DOS

IR

Vibrations