Geometry & MOs

Info

ID:	329724
PubChem CID:	127246591
Reduced:	OSN4C16H20 (1)
Stoich.:	ABC4D16E20 (1)
Weight, g/mol:	318.148061
ΔH_f, kcal/mol:	-2.79
Dipole, Da:	5.19
IP(EA), eV:	-9.08(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-quinolin-3-ylmethanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)CC3=C(N=C(S3)C)C

DOS

IR

Vibrations