Geometry & MOs

Info

ID:	61111
PubChem CID:	26705760
Reduced:	ClO2N7H14C18 (1)
Stoich.:	AB2C7D14E18 (1)
Weight, g/mol:	350.149124
ΔH_f, kcal/mol:	101.49
Dipole, Da:	7.58
IP(EA), eV:	-9.49(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[3-oxo-3-[4-(tetrazol-1-yl)anilino]propyl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NOC(=N2)CCC(=O)NC3=CC=C(C=C3)N4C=NN=N4)Cl

DOS

IR

Vibrations