Geometry & MOs

Info

ID:	268079
PubChem CID:	103597736
Reduced:	ON3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	377.185175
ΔH_f, kcal/mol:	62.93
Dipole, Da:	2.74
IP(EA), eV:	-8.72(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxyphenyl)-N-methyl-N-[(2-methylphenyl)methyl]-2-(5-methyltetrazol-1-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CC1C(C2CC2)NC(=O)C=CC3=CN(C4=CC=CC=C43)CCC#N

DOS

IR

Vibrations