Geometry & MOs

Info

ID:	31388
PubChem CID:	855649
Reduced:	SN2O2C16H16 (1)
Stoich.:	AB2C2D16E16 (1)
Weight, g/mol:	328.164774
ΔH_f, kcal/mol:	-50.67
Dipole, Da:	4.88
IP(EA), eV:	-8.1(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=CC3=C(N=C2C=C1)SC(=C3N)C(=O)OC(C)C

DOS

IR

Vibrations