Geometry & MOs

Info

ID:	332411
PubChem CID:	127250697
Reduced:	ON6C23H26 (1)
Stoich.:	AB6C23D26 (1)
Weight, g/mol:	428.23246
ΔH_f, kcal/mol:	74.22
Dipole, Da:	3.79
IP(EA), eV:	-8.85(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C1CN3CCOC(C3)C4=CC=CC(=N4)C5=CN(N=C5)C

DOS

IR

Vibrations