Geometry & MOs

Info

ID:	152958
PubChem CID:	56312057
Reduced:	FION3C20H23 (1)
Stoich.:	ABCD3E20F23 (1)
Weight, g/mol:	424.191069
ΔH_f, kcal/mol:	-23.11
Dipole, Da:	5.6
IP(EA), eV:	-9.01(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC(=O)NC2=CC(=CC=C2)I)CC3=CC=CC=C3F

DOS

IR

Vibrations