Geometry & MOs

Info

ID:	156001
PubChem CID:	56368704
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	451.14705
ΔH_f, kcal/mol:	-110.86
Dipole, Da:	2.77
IP(EA), eV:	-8.63(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-ethylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CN1CCC(CC1)NC(=O)C2CCCN2C(=O)C3=C(C4=CC=CC=C4C=C3)O

DOS

IR

Vibrations