Geometry & MOs

Info

ID:	190725
PubChem CID:	78048223
Reduced:	N2O4H20C21 (1)
Stoich.:	A2B4C20D21 (1)
Weight, g/mol:	384.179755
ΔH_f, kcal/mol:	-109.5
Dipole, Da:	5.91
IP(EA), eV:	-9.38(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[3-(dimethylamino)pyrrolidin-1-yl]-2,4-dioxo-1,5,6,7-tetrahydropyrido[3,2-d][1]benzazepine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1CC(C(=O)NC1C2=CC3=C(C=C2)N=C(O3)C4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations