Geometry & MOs

Info

ID:	195750
PubChem CID:	78730923
Reduced:	N4O4C23H28 (1)
Stoich.:	A4B4C23D28 (1)
Weight, g/mol:	379.213401
ΔH_f, kcal/mol:	-85.93
Dipole, Da:	5.82
IP(EA), eV:	-8.69(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl-[1-(4-oxo-4aH-quinazolin-2-yl)ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)CN(C)CC2=NC(=O)C3=CC(C(=CC3=N2)OC)OC)C

DOS

IR

Vibrations