Geometry & MOs

Info

ID:	37937
PubChem CID:	8025660
Reduced:	O3N4C24H29 (1)
Stoich.:	A3B4C24D29 (1)
Weight, g/mol:	395.159354
ΔH_f, kcal/mol:	-62.08
Dipole, Da:	10.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754337
Charge, e:	0

Chem-info

IUPAC name:

[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 3,4-dimethoxybenzoate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C[NH+](C)CC(=O)C2=C(N(C(=O)N(C2=O)C)CC3=CC=CC=C3)N

DOS

IR

Vibrations