Geometry & MOs

Info

ID:	282125
PubChem CID:	103916399
Reduced:	Cl2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	221.097127
ΔH_f, kcal/mol:	35.93
Dipole, Da:	1.22
IP(EA), eV:	-9.03(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(2-chlorophenyl)ethyl]pent-4-yn-1-amine

Drug info:

PubChemData

Smile

CC1=NN(C(=C1CN[C@@H](C)C2=CC=CC=C2Cl)Cl)C

DOS

IR

Vibrations