Geometry & MOs

Info

ID:	180915
PubChem CID:	76703410
Reduced:	N3O4C25H25 (1)
Stoich.:	A3B4C25D25 (1)
Weight, g/mol:	431.184506
ΔH_f, kcal/mol:	-79.14
Dipole, Da:	9.64
IP(EA), eV:	-8.08(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-(4-methoxyphenyl)-6-(4-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,5-triazinan-2-yl]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C2NC(NC(N2)C3=CC=CC=C3OC)C4=CC=C(C=C4)C(=O)OC)C=C1

DOS

IR

Vibrations