Geometry & MOs

Info

ID:	196859
PubChem CID:	78888385
Reduced:	BrO2N3H12C17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	410.186652
ΔH_f, kcal/mol:	21.31
Dipole, Da:	2.9
IP(EA), eV:	-9.34(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-4-[[[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]methyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=NC=C(C=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations