Geometry & MOs

Info

ID:	446670
PubChem CID:	135276817
Reduced:	OCl2N2C7H8 (1)
Stoich.:	AB2C2D7E8 (1)
Weight, g/mol:	474.245333
ΔH_f, kcal/mol:	-4.58
Dipole, Da:	3.54
IP(EA), eV:	-9.96(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)/C(=C(\C=NC(=N)C)/Cl)/Cl

DOS

IR

Vibrations