Geometry & MOs

Info

ID:	293332
PubChem CID:	117384761
Reduced:	ClN2O2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	252.091708
ΔH_f, kcal/mol:	-10.9
Dipole, Da:	1.12
IP(EA), eV:	-9.22(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-chloro-4-(cyclopropylmethoxy)phenyl]methyl]cyclopropan-1-ol

Drug info:

PubChemData

Smile

CCC1=C(C(=CC(=C1)C2=CC(=NO2)N)Cl)OC

DOS

IR

Vibrations