Geometry & MOs

Info

ID:	41746
PubChem CID:	8147020
Reduced:	OSN6H18C19 (1)
Stoich.:	ABC6D18E19 (1)
Weight, g/mol:	324.151215
ΔH_f, kcal/mol:	88.79
Dipole, Da:	4.05
IP(EA), eV:	-9.24(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=NN=N2)S[C@H](C)C3=NC(=O)C4=CC=CC=C4N3)C

DOS

IR

Vibrations