Geometry & MOs

Info

ID:	271929
PubChem CID:	103701645
Reduced:	OSN2H16C17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	167.1674
ΔH_f, kcal/mol:	77.38
Dipole, Da:	2.59
IP(EA), eV:	-8.93(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-N-pent-4-ynylbutan-1-amine

Drug info:

PubChemData

Smile

C#CCCCNCC1=CC=C(O1)C2=NC3=CC=CC=C3S2

DOS

IR

Vibrations