Geometry & MOs

Info

ID:	340626
PubChem CID:	127262637
Reduced:	NO2C10H21 (1)
Stoich.:	AB2C10D21 (1)
Weight, g/mol:	202.121846
ΔH_f, kcal/mol:	-124.61
Dipole, Da:	2.65
IP(EA), eV:	-9.87(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-aminocyclohexyl)pyrimidine-2-carbonitrile

Drug info:

PubChemData

Smile

CCCCCCC[C@@H](C(=O)OC)N

DOS

IR

Vibrations