Geometry & MOs

Info

ID:	171428
PubChem CID:	75376315
Reduced:	O2N4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	317.137556
ΔH_f, kcal/mol:	-18.18
Dipole, Da:	2.27
IP(EA), eV:	-8.81(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(methoxymethyl)-4-nitroanilino]methyl]-4,6-dimethyl-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC1=NN(C=C1)C2=CC=CC(=C2)NC(=O)N[C@H]3C[C@H](C=C3)CO

DOS

IR

Vibrations