Geometry & MOs

Info

ID:	372512
PubChem CID:	131299004
Reduced:	ClON3C10H10 (1)
Stoich.:	ABC3D10E10 (1)
Weight, g/mol:	177.115364
ΔH_f, kcal/mol:	0.95
Dipole, Da:	3.99
IP(EA), eV:	-9.17(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-aminoprop-1-enyl)-2,3-dimethylphenol

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)C)C2=CC(=NC(=C2)Cl)N

DOS

IR

Vibrations