Geometry & MOs

Info

ID:	294790
PubChem CID:	117494855
Reduced:	BrNO2C14H16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	309.07283
ΔH_f, kcal/mol:	-39.82
Dipole, Da:	3.29
IP(EA), eV:	-9.18(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-bromo-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]methanamine

Drug info:

PubChemData

Smile

CC(C)C1=C2C(=C(C=C1CC#N)Br)OCCCO2

DOS

IR

Vibrations