Geometry & MOs

Info

ID:	271608
PubChem CID:	103685818
Reduced:	NOSC15H21 (1)
Stoich.:	ABCD15E21 (1)
Weight, g/mol:	273.129969
ΔH_f, kcal/mol:	22.93
Dipole, Da:	1.53
IP(EA), eV:	-8.78(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-ethylbenzimidazol-2-yl)methyl]-2-prop-2-ynylsulfanylethanamine

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)CNCCSCC#C

DOS

IR

Vibrations