Geometry & MOs

Info

ID:	36454
PubChem CID:	8007041
Reduced:	ON3C8H11 (2)
Stoich.:	AB3C8D11 (2)
Weight, g/mol:	305.140236
ΔH_f, kcal/mol:	-13.89
Dipole, Da:	2.05
IP(EA), eV:	-8.4(0.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2-cyanophenyl)methyl-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)[C@H]2CCCN2CC3=NC(=NC(=N3)N)N)OC

DOS

IR

Vibrations