Geometry & MOs

Info

ID:	305870
PubChem CID:	124971890
Reduced:	ON4C19H20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	320.163711
ΔH_f, kcal/mol:	19.38
Dipole, Da:	4.98
IP(EA), eV:	-8.67(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylimidazol-4-yl)-[(3S)-3-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)[C@@H]2CCN(C2)C(=O)C3=CC4=CC=CC=C4N3)C

DOS

IR

Vibrations