Geometry & MOs

Info

ID:	72258
PubChem CID:	48415978
Reduced:	O2N6C21H22 (1)
Stoich.:	A2B6C21D22 (1)
Weight, g/mol:	412.211055
ΔH_f, kcal/mol:	46.12
Dipole, Da:	2.94
IP(EA), eV:	-8.74(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 5-[3-(1H-benzimidazol-2-yl)propyl-methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CCC3=NC(=NO3)C4=CN=CC=C4

DOS

IR

Vibrations