Geometry & MOs

Info

ID:	329955
PubChem CID:	127246942
Reduced:	ON6C16H22 (1)
Stoich.:	AB6C16D22 (1)
Weight, g/mol:	319.179696
ΔH_f, kcal/mol:	24.32
Dipole, Da:	4.8
IP(EA), eV:	-8.98(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-6-[1-(quinolin-8-ylmethyl)pyrrolidin-2-yl]pyrazin-2-amine

Drug info:

PubChemData

Smile

CC1=NN(C=C1)CCC(=O)N2CCCC2C3=CN=CC(=N3)NC

DOS

IR

Vibrations