Geometry & MOs

Info

ID:	45717
PubChem CID:	10516909
Reduced:	ClON2H9C16 (1)
Stoich.:	ABC2D9E16 (1)
Weight, g/mol:	281.091275
ΔH_f, kcal/mol:	39.67
Dipole, Da:	2.62
IP(EA), eV:	-8.94(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl N-[4-(tetrazol-1-yl)phenyl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=NC4=CC=CC=C4C(=C3N2)C(=O)Cl

DOS

IR

Vibrations