Geometry & MOs

Info

ID:	293234
PubChem CID:	117377993
Reduced:	ClN3C13H16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	249.103275
ΔH_f, kcal/mol:	38.95
Dipole, Da:	6.13
IP(EA), eV:	-9.26(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]propan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CCCCN)Cl)N2C=CN=C2

DOS

IR

Vibrations