Geometry & MOs

Info

ID:	342568
PubChem CID:	127265728
Reduced:	NO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	319.119988
ΔH_f, kcal/mol:	-121.48
Dipole, Da:	4.3
IP(EA), eV:	-9.35(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-N,2-dimethyl-N-[2-(2H-tetrazol-5-yl)propyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=C(C)C(=O)NC(C)(CO)CO

DOS

IR

Vibrations