Geometry & MOs

Info

ID:	332735
PubChem CID:	127251045
Reduced:	NOC8H9 (3)
Stoich.:	ABC8D9 (3)
Weight, g/mol:	412.189926
ΔH_f, kcal/mol:	-37.59
Dipole, Da:	3.42
IP(EA), eV:	-8.61(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(3-methoxyphenyl)pyrazin-2-yl]-4-(quinolin-5-ylmethyl)morpholine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CN2CCOC(C2)C3=NC(=CN=C3)C4=CC=C(C=C4)OC)OC

DOS

IR

Vibrations