Geometry & MOs

Info

ID:	169950
PubChem CID:	75173488
Reduced:	N4O5C27H28 (1)
Stoich.:	A4B5C27D28 (1)
Weight, g/mol:	426.19032
ΔH_f, kcal/mol:	-113.36
Dipole, Da:	4.16
IP(EA), eV:	-8.68(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-N-propyl-1,2,4-triazinane-6-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC(=O)C2C(=O)N(C(=O)N(N2)C3=CC=C(C=C3)OC)CC4=CC(=CC=C4)OC

DOS

IR

Vibrations