Geometry & MOs

Info

ID:	332308
PubChem CID:	127250594
Reduced:	N3O3C25H27 (1)
Stoich.:	A3B3C25D27 (1)
Weight, g/mol:	424.189926
ΔH_f, kcal/mol:	-51.76
Dipole, Da:	5.34
IP(EA), eV:	-8.58(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CN2CCOC(C2)C3=CC=CC(=N3)C4=CC=C(C=C4)C(=O)N)OC

DOS

IR

Vibrations