Geometry & MOs

Info

ID:	416576
PubChem CID:	135089701
Reduced:	OSN3C20H21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	399.190654
ΔH_f, kcal/mol:	35.66
Dipole, Da:	4.33
IP(EA), eV:	-8.45(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-9-hydroxy-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(N2)C(=CC=C3)C(=O)N(CC4=NC=CS4)C5CC5

DOS

IR

Vibrations