Geometry & MOs

Info

ID:	285000
PubChem CID:	104089153
Reduced:	NOCl2C16H21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	157.092521
ΔH_f, kcal/mol:	-18.18
Dipole, Da:	4.41
IP(EA), eV:	-9.32(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylsulfanylethyl)pent-4-yn-1-amine

Drug info:

PubChemData

Smile

CC(C)CNCC1=C(C(=CC(=C1)Cl)Cl)OCCCC#C

DOS

IR

Vibrations