Geometry & MOs

Info

ID:	126207
PubChem CID:	50955593
Reduced:	SN6C19H22 (1)
Stoich.:	AB6C19D22 (1)
Weight, g/mol:	377.257946
ΔH_f, kcal/mol:	91.46
Dipole, Da:	2.9
IP(EA), eV:	-8.7(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-butyl-1H-imidazol-5-yl)-1-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-phenylimidazole

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N)N2CCN(CC2)CC3=CN=C(S3)C4=CC=CC=C4

DOS

IR

Vibrations