Geometry & MOs

Info

ID:	423998
PubChem CID:	135121001
Reduced:	N3O4C11H15 (1)
Stoich.:	A3B4C11D15 (1)
Weight, g/mol:	492.212118
ΔH_f, kcal/mol:	-127.61
Dipole, Da:	1.23
IP(EA), eV:	-9.14(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-[(4-methylphenyl)methyl]-2,6-dioxo-4-[(2-oxo-5-pyridin-4-ylpiperidin-3-yl)amino]-1,3,5-triazin-1-yl]propanoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)CO)CNC(=O)C(=O)NN

DOS

IR

Vibrations