Geometry & MOs

Info

ID:	147993
PubChem CID:	53787655
Reduced:	NO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	409.247775
ΔH_f, kcal/mol:	-58.86
Dipole, Da:	2.15
IP(EA), eV:	-9.56(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-4-nitroso-7-[3-(4-phenylpiperazin-1-yl)propyl]-5,6-dihydro-4H-pyrrolo[2,3-c]azepin-8-one

Drug info:

PubChemData

Smile

C1CC1CCNC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations