Geometry & MOs

Info

ID:	326021
PubChem CID:	126686071
Reduced:	N2O4C17H18 (1)
Stoich.:	A2B4C17D18 (1)
Weight, g/mol:	371.148121
ΔH_f, kcal/mol:	-128.73
Dipole, Da:	8.63
IP(EA), eV:	-8.48(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-hydroxy-7-methyl-2-oxo-9-pyrrolidin-1-yl-5,6-dihydro-1H-pyrido[3,2-d][1]benzazepin-3-yl) hydrogen carbonate

Drug info:

PubChemData

Smile

CN(C)C1=CC2=C(C=C1)C3=C(CCC2)C=C(C(=O)N3)OC(=O)O

DOS

IR

Vibrations