Geometry & MOs

Info

ID:	438215
PubChem CID:	135227909
Reduced:	ON2C15H17 (2)
Stoich.:	AB2C15D17 (2)
Weight, g/mol:	389.210327
ΔH_f, kcal/mol:	-3.35
Dipole, Da:	5.67
IP(EA), eV:	-8.31(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-[2-[methyl-[oxan-4-yl(phenyl)methyl]amino]pyridin-4-yl]pyridin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=NC(=CC(=C2)C3=CN(C(=O)C=C3)C)N(C)C(C4CCOCC4)C5=CC=CC=C5)C

DOS

IR

Vibrations