Geometry & MOs

Info

ID:	305719
PubChem CID:	124966391
Reduced:	FO2N3C23H26 (1)
Stoich.:	AB2C3D23E26 (1)
Weight, g/mol:	331.168462
ΔH_f, kcal/mol:	-105.69
Dipole, Da:	4.72
IP(EA), eV:	-9.35(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-quinolin-3-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)[C@H]2CCCN(C2)C(=O)CN3CCCC3=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations