Geometry & MOs

Info

ID:	201347
PubChem CID:	79527385
Reduced:	ON2C16H24 (1)
Stoich.:	AB2C16D24 (1)
Weight, g/mol:	234.148061
ΔH_f, kcal/mol:	-55.26
Dipole, Da:	4.82
IP(EA), eV:	-8.82(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethyl)-N-pyrimidin-2-ylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)C2CCC(CC2)CN

DOS

IR

Vibrations