Geometry & MOs

Info

ID:	203492
PubChem CID:	79837834
Reduced:	ClNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	283.05718
ΔH_f, kcal/mol:	-80.0
Dipole, Da:	1.97
IP(EA), eV:	-8.55(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-7-bromo-4-ethoxy-3,3-dimethyl-1,2-dihydroinden-1-amine

Drug info:

PubChemData

Smile

CC1(C[C@@H](C2=C3C(=CC(=C21)Cl)OCCCO3)N)C

DOS

IR

Vibrations