Geometry & MOs

Info

ID:	169741
PubChem CID:	75143173
Reduced:	O3N5C25H25 (1)
Stoich.:	A3B5C25D25 (1)
Weight, g/mol:	478.185235
ΔH_f, kcal/mol:	-30.43
Dipole, Da:	4.89
IP(EA), eV:	-9.25(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-4-[(2-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazinane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)C(NN(C2=O)C3=CC=CC(=C3)C)C(=O)NCC4=CC=NC=C4

DOS

IR

Vibrations