Geometry & MOs

Info

ID:	26929
PubChem CID:	804408
Reduced:	ClN4H15C19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	231.162314
ΔH_f, kcal/mol:	102.67
Dipole, Da:	7.13
IP(EA), eV:	-8.37(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(1S,2R)-2-methylcyclohexyl]benzamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C=NN2C(=C1C3=CC=CC=C3)N)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations