Geometry & MOs

Info

ID:	329959
PubChem CID:	127246946
Reduced:	O2N4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	319.179696
ΔH_f, kcal/mol:	-0.45
Dipole, Da:	6.59
IP(EA), eV:	-8.77(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-6-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]pyrazin-2-amine

Drug info:

PubChemData

Smile

CNC1=NC(=CN=C1)C2CCCN2C(=O)C3=CC4=CC=CC=C4OC3

DOS

IR

Vibrations