Geometry & MOs

Info

ID:	62807
PubChem CID:	26736965
Reduced:	N2O3C20H26 (1)
Stoich.:	A2B3C20D26 (1)
Weight, g/mol:	407.130363
ΔH_f, kcal/mol:	-86.93
Dipole, Da:	6.57
IP(EA), eV:	-7.93(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethoxyphenyl)-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCCN1C(=CC(=C1C)/C=C/C(=O)NC2=CC(=C(C=C2)OC)OC)C

DOS

IR

Vibrations