Geometry & MOs

Info

ID:	271612
PubChem CID:	103685844
Reduced:	SN2O2C16H28 (1)
Stoich.:	AB2C2D16E28 (1)
Weight, g/mol:	261.118735
ΔH_f, kcal/mol:	-75.78
Dipole, Da:	2.63
IP(EA), eV:	-8.85(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-prop-2-enoxyphenyl)methyl]-2-prop-2-ynylsulfanylethanamine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC(C1)CNCCSCC#C

DOS

IR

Vibrations