Geometry & MOs

Info

ID:	447492
PubChem CID:	135283322
Reduced:	ClOF2N2H9C11 (1)
Stoich.:	ABC2D2E9F11 (1)
Weight, g/mol:	245.091275
ΔH_f, kcal/mol:	-71.85
Dipole, Da:	2.46
IP(EA), eV:	-9.95(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-acetyl-N-(1-methyltetrazol-5-yl)benzamide

Drug info:

PubChemData

Smile

COC1(C=CC=CC1C2=NC(=NC=C2F)Cl)F

DOS

IR

Vibrations