Geometry & MOs

Info

ID:	201848
PubChem CID:	79592490
Reduced:	NCl2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	229.042505
ΔH_f, kcal/mol:	11.19
Dipole, Da:	1.97
IP(EA), eV:	-9.11(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,5-dichlorophenyl)pent-3-en-1-amine

Drug info:

PubChemData

Smile

CNCCC=CC1=C(C=CC(=C1)Cl)Cl

DOS

IR

Vibrations