Geometry & MOs

Info

ID:	332119
PubChem CID:	127250405
Reduced:	O2N3H25C26 (1)
Stoich.:	A2B3C25D26 (1)
Weight, g/mol:	424.189926
ΔH_f, kcal/mol:	30.09
Dipole, Da:	4.72
IP(EA), eV:	-8.89(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[4-(quinolin-5-ylmethyl)morpholin-2-yl]pyridin-3-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=CN=C(C=C2)C3CN(CCO3)CC4=C5C=CC=NC5=CC=C4

DOS

IR

Vibrations