Geometry & MOs

Info

ID:	41752
PubChem CID:	8147032
Reduced:	ClFON3H18C19 (1)
Stoich.:	ABCD3E18F19 (1)
Weight, g/mol:	357.104418
ΔH_f, kcal/mol:	6.03
Dipole, Da:	6.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.771406
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-2-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

C1CC1[NH+](CC2=CC=CC=C2F)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

DOS

IR

Vibrations