Geometry & MOs

Info

ID:	20604
PubChem CID:	584815
Reduced:	INOC18H22 (1)
Stoich.:	ABCD18E22 (1)
Weight, g/mol:	395.07461
ΔH_f, kcal/mol:	-40.86
Dipole, Da:	5.83
IP(EA), eV:	-8.7(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-iodo-2-methylphenyl)adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)I)NC(=O)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations