Geometry & MOs

Info

ID:	228160
PubChem CID:	87563551
Reduced:	NO3H19C20 (1)
Stoich.:	AB3C19D20 (1)
Weight, g/mol:	297.124405
ΔH_f, kcal/mol:	-45.44
Dipole, Da:	3.77
IP(EA), eV:	-8.65(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-6,6-dimethyl-7,8-dihydro-5H-quinazolin-2-yl)methyl-ethylcarbamic acid

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)OC2=NC3=C(C=C2)C=C(C=C3)CC=O

DOS

IR

Vibrations