Geometry & MOs

Info

ID:	64941
PubChem CID:	29204229
Reduced:	ClOSN2H13C17 (1)
Stoich.:	ABCD2E13F17 (1)
Weight, g/mol:	403.225977
ΔH_f, kcal/mol:	36.54
Dipole, Da:	5.58
IP(EA), eV:	-8.93(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(S2)/C=C/C(=O)NCC3=CN=CC=C3)Cl

DOS

IR

Vibrations