Geometry & MOs

Info

ID:	56004
PubChem CID:	17402475
Reduced:	N2O5C15H16 (1)
Stoich.:	A2B5C15D16 (1)
Weight, g/mol:	348.158626
ΔH_f, kcal/mol:	-187.52
Dipole, Da:	8.21
IP(EA), eV:	-9.57(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methoxyphenyl)-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)OCC2=CC(=O)N(C(=O)N2C)C)O

DOS

IR

Vibrations