Geometry & MOs

Info

ID:	41751
PubChem CID:	8147031
Reduced:	N2O5H22C23 (1)
Stoich.:	A2B5C22D23 (1)
Weight, g/mol:	358.112243
ΔH_f, kcal/mol:	-150.93
Dipole, Da:	5.1
IP(EA), eV:	-8.78(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC(=O)N3C4=CC=CC=C4NC(=O)C3(C)C

DOS

IR

Vibrations