Geometry & MOs

Info

ID:	331701
PubChem CID:	127249784
Reduced:	ON5C25H25 (1)
Stoich.:	AB5C25D25 (1)
Weight, g/mol:	398.185509
ΔH_f, kcal/mol:	69.3
Dipole, Da:	2.34
IP(EA), eV:	-8.43(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[4-(quinolin-4-ylmethyl)morpholin-2-yl]pyridin-2-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC2=CC=CC(=N2)C3CN(CCO3)CC4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations