Geometry & MOs

Info

ID:	156876
PubChem CID:	56394821
Reduced:	O2N4C11H11 (2)
Stoich.:	A2B4C11D11 (2)
Weight, g/mol:	403.175673
ΔH_f, kcal/mol:	-20.11
Dipole, Da:	8.21
IP(EA), eV:	-9.04(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=C(C(=CC(=N2)C3CC3)C(=O)NC4=CC(=C(C=C4)OC)N5C(=NN=N5)C)C(=O)NC1=O

DOS

IR

Vibrations