Geometry & MOs

Info

ID:	41531
PubChem CID:	8146162
Reduced:	O2N3C17H19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	337.15904
ΔH_f, kcal/mol:	-39.76
Dipole, Da:	6.74
IP(EA), eV:	-8.72(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-1-[cyclopropyl-[(4-fluorophenyl)methyl]amino]ethyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CCC(=O)N/N=C(/C)\CC(=O)NC1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations