Geometry & MOs

Info

ID:	187256
PubChem CID:	77551096
Reduced:	N2O4C29H34 (1)
Stoich.:	A2B4C29D34 (1)
Weight, g/mol:	356.163711
ΔH_f, kcal/mol:	-132.1
Dipole, Da:	7.73
IP(EA), eV:	-9.0(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-amino-4-benzyl-4H-pyrido[3,2-d]pyrimidin-6-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC(C1=CC=CC2=CC=CC=C21)NCC3CN(CC3C4=CC=CC=C4)C(=O)OCC(C)(C)C(=O)O

DOS

IR

Vibrations