Geometry & MOs

Info

ID:	169745
PubChem CID:	75143322
Reduced:	N5O6C26H27 (1)
Stoich.:	A5B6C26D27 (1)
Weight, g/mol:	468.200885
ΔH_f, kcal/mol:	-121.94
Dipole, Da:	3.44
IP(EA), eV:	-8.43(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)N2C(=O)N(C(=O)C(N2)C(=O)NCC3=CN=CC=C3)CC4=CC(=CC=C4)OC)OC

DOS

IR

Vibrations