Geometry & MOs

Info

ID:	283218
PubChem CID:	103965138
Reduced:	ClON2C17H25 (1)
Stoich.:	ABC2D17E25 (1)
Weight, g/mol:	292.178693
ΔH_f, kcal/mol:	-81.64
Dipole, Da:	2.35
IP(EA), eV:	-8.88(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

CC1(CC(CC(C1)(C)C)NC(=O)C2=C(C=CC=C2Cl)N)C

DOS

IR

Vibrations