Geometry & MOs

Info

ID:	191335
PubChem CID:	78133034
Reduced:	N4O5C38H46 (1)
Stoich.:	A4B5C38D46 (1)
Weight, g/mol:	384.133474
ΔH_f, kcal/mol:	-127.07
Dipole, Da:	10.37
IP(EA), eV:	-8.79(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2,3-dihydro-1H-benzotriazol-4-ylimino)quinazolin-6-ylidene]-2-methoxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CCCCN(CCCC)C(=O)C1=NN(C(=C1)C)C2=C(C=C(C=C2)C3=C(C=CC=C3OC)OC)C(=O)N4CC5=CC=CC=C5CC4CO

DOS

IR

Vibrations