Geometry & MOs

Info

ID:	156119
PubChem CID:	56369223
Reduced:	BrClO2N4H16C18 (1)
Stoich.:	ABC2D4E16F18 (1)
Weight, g/mol:	416.08479
ΔH_f, kcal/mol:	8.36
Dipole, Da:	5.35
IP(EA), eV:	-9.03(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-ethyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=CN=C1C(C2=CC=C(C=C2)OC)NC(=O)C3=C(N=CC(=C3)Br)Cl

DOS

IR

Vibrations