Geometry & MOs

Info

ID:	293553
PubChem CID:	117392862
Reduced:	ClNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	255.102607
ΔH_f, kcal/mol:	-79.61
Dipole, Da:	4.29
IP(EA), eV:	-8.65(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)propan-1-amine

Drug info:

PubChemData

Smile

CCC1=C2C(=C(C=C1CCCN)Cl)OCCO2

DOS

IR

Vibrations