Geometry & MOs

Info

ID:	428589
PubChem CID:	135167703
Reduced:	O2N3C31H35 (1)
Stoich.:	A2B3C31D35 (1)
Weight, g/mol:	515.314792
ΔH_f, kcal/mol:	-58.11
Dipole, Da:	5.96
IP(EA), eV:	-8.33(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-(4-propan-2-ylphenyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1)CNC(=O)C2=C3C=CN(C3=CC(=C2)C4=CC=C(C=C4)C(C)C)C5CCCC5)C

DOS

IR

Vibrations