Geometry & MOs

Info

ID:	365784
PubChem CID:	127318509
Reduced:	NSO3C18H25 (1)
Stoich.:	ABC3D18E25 (1)
Weight, g/mol:	295.168462
ΔH_f, kcal/mol:	-134.55
Dipole, Da:	8.77
IP(EA), eV:	-9.57(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(1-phenylcyclohexyl)pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(C2=CC=CC=C2)NC(=O)C3CCS(=O)(=O)CC3

DOS

IR

Vibrations