Geometry & MOs

Info

ID:	346552
PubChem CID:	127271056
Reduced:	O2N5C17H21 (1)
Stoich.:	A2B5C17D21 (1)
Weight, g/mol:	284.105545
ΔH_f, kcal/mol:	-27.25
Dipole, Da:	5.72
IP(EA), eV:	-9.46(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methyl-5-oxopyrrolidin-3-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(N=N2)CC(=O)NC3CC(=O)N(C3)C)C

DOS

IR

Vibrations