Geometry & MOs

Info

ID:	194092
PubChem CID:	78480790
Reduced:	O4N5C18H31 (1)
Stoich.:	A4B5C18D31 (1)
Weight, g/mol:	352.226312
ΔH_f, kcal/mol:	-192.15
Dipole, Da:	3.74
IP(EA), eV:	-9.26(0.0)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

dimethyl-[2-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethylazaniumyl]ethyl]azanium

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC1=CN=CN1)C(=O)NC(CC(C)C)C(=O)[O-])[NH3+]

DOS

IR

Vibrations