Geometry & MOs

Info

ID:	353548
PubChem CID:	127285125
Reduced:	O3N5C17H25 (1)
Stoich.:	A3B5C17D25 (1)
Weight, g/mol:	209.177964
ΔH_f, kcal/mol:	-84.92
Dipole, Da:	6.49
IP(EA), eV:	-8.51(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylcyclopentyl)cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N2C(=N1)C=CN2)CC(=O)NC(C)C(C)N3CCOCC3

DOS

IR

Vibrations