Geometry & MOs

Info

ID:	40717
PubChem CID:	8144579
Reduced:	OSN4C21H30 (1)
Stoich.:	ABC4D21E30 (1)
Weight, g/mol:	370.13223
ΔH_f, kcal/mol:	0.58
Dipole, Da:	5.29
IP(EA), eV:	-8.22(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-cyclopropyl-[(4-methoxyphenyl)methyl]azanium

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@H]1N2C(=NN(C2=S)CN3CCOCC3)C4=CC=CC(=C4)C

DOS

IR

Vibrations