Geometry & MOs

Info

ID:	331858
PubChem CID:	127250144
Reduced:	NOC12H15 (2)
Stoich.:	ABC12D15 (2)
Weight, g/mol:	394.119654
ΔH_f, kcal/mol:	-62.47
Dipole, Da:	2.15
IP(EA), eV:	-8.96(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[(3-chlorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]-pyrazin-2-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2=CN=C(C=C2)C3CN(CCO3)C(=O)C4CCCCC4

DOS

IR

Vibrations