Geometry & MOs

Info

ID:	130718
PubChem CID:	51095838
Reduced:	O2N3C19H19 (1)
Stoich.:	A2B3C19D19 (1)
Weight, g/mol:	345.133808
ΔH_f, kcal/mol:	11.86
Dipole, Da:	4.11
IP(EA), eV:	-9.27(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-pyrazol-1-ylphenyl)methyl]-3-(tetrazol-1-yl)benzamide

Drug info:

PubChemData

Smile

COCC1=CC(=CC=C1)C(=O)NCC2=CC=CC=C2N3C=CC=N3

DOS

IR

Vibrations