Geometry & MOs

Info

ID:	332795
PubChem CID:	127251219
Reduced:	ClO2N5H20C23 (1)
Stoich.:	AB2C5D20E23 (1)
Weight, g/mol:	432.196154
ΔH_f, kcal/mol:	37.36
Dipole, Da:	3.48
IP(EA), eV:	-8.99(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-(2-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NN=C2C(=O)N3CCOC(C3)C4=NC=CN=C4C5=CC(=CC=C5)Cl

DOS

IR

Vibrations