Geometry & MOs

Info

ID:	367641
PubChem CID:	127325165
Reduced:	O3N5C18H27 (1)
Stoich.:	A3B5C18D27 (1)
Weight, g/mol:	324.195011
ΔH_f, kcal/mol:	-115.42
Dipole, Da:	5.27
IP(EA), eV:	-9.21(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohexylmethyl)-N-cyclopropyl-3-(1,2,4-triazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CC(CN1CCCC1=O)NC(=O)C2CCC(=O)N(C2C3=CN(N=C3)C)C

DOS

IR

Vibrations