Geometry & MOs

Info

ID:	169746
PubChem CID:	75143323
Reduced:	N2O3C12H14 (2)
Stoich.:	A2B3C12D14 (2)
Weight, g/mol:	468.200885
ΔH_f, kcal/mol:	-149.67
Dipole, Da:	0.97
IP(EA), eV:	-8.57(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-4-[(3-methoxyphenyl)methyl]-6-(pyrrolidine-1-carbonyl)-1,2,4-triazinane-3,5-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)N2C(=O)N(C(=O)C(N2)C(=O)NCC3CC3)CC4=CC(=CC=C4)OC)OC

DOS

IR

Vibrations