Geometry & MOs

Info

ID:	336931
PubChem CID:	127255938
Reduced:	NOC5H7 (4)
Stoich.:	ABC5D7 (4)
Weight, g/mol:	214.050905
ΔH_f, kcal/mol:	-147.01
Dipole, Da:	2.78
IP(EA), eV:	-9.54(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-nitro-2,3-dihydro-1H-inden-1-amine;hydrochloride

Drug info:

PubChemData

Smile

CC1CC(=C)C(CN2C(=O)CN(CCN3CC(=O)N(C1)C(=O)C3)CC2=O)C=C

DOS

IR

Vibrations