Geometry & MOs

Info

ID:	332235
PubChem CID:	127250521
Reduced:	ON6C25H26 (1)
Stoich.:	AB6C25D26 (1)
Weight, g/mol:	414.216809
ΔH_f, kcal/mol:	97.28
Dipole, Da:	5.14
IP(EA), eV:	-8.64(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-[[2-[6-(1H-pyrazol-4-yl)pyridin-2-yl]morpholin-4-yl]methyl]quinolin-2-amine

Drug info:

PubChemData

Smile

CN(C)C1=NC2=CC=CC=C2C=C1CN3CCOC(C3)C4=CC=CC(=N4)C5=CN=CN=C5

DOS

IR

Vibrations