Geometry & MOs

Info

ID:	333231
PubChem CID:	127251779
Reduced:	SO3N6C20H22 (1)
Stoich.:	AB3C6D20E22 (1)
Weight, g/mol:	399.180758
ΔH_f, kcal/mol:	-11.73
Dipole, Da:	5.55
IP(EA), eV:	-9.09(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pyrimidin-2-yl-6-[4-(quinolin-5-ylmethyl)morpholin-2-yl]pyrazin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOC(C2)C3=CN=CC(=N3)NC4=NC=CC=N4)C

DOS

IR

Vibrations