Geometry & MOs

Info

ID:	170571
PubChem CID:	75253998
Reduced:	ClN2O3C31H35 (1)
Stoich.:	AB2C3D31E35 (1)
Weight, g/mol:	222.081143
ΔH_f, kcal/mol:	-119.45
Dipole, Da:	3.88
IP(EA), eV:	-8.95(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(4-chlorophenyl)methylidene]cyclopropyl]propan-2-ol

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(C(=O)N2)(C3CCCCC3)C4=CC=C(C=C4)CC(C(=O)OC5=CC=CC=C5)N)C.Cl

DOS

IR

Vibrations