Geometry & MOs

Info

ID:	416416
PubChem CID:	135089429
Reduced:	O2N5C19H29 (1)
Stoich.:	A2B5C19D29 (1)
Weight, g/mol:	413.198238
ΔH_f, kcal/mol:	-49.26
Dipole, Da:	6.36
IP(EA), eV:	-8.94(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C3=NC(=CN=C3)C(=O)N4CCCC4)CO

DOS

IR

Vibrations