Geometry & MOs

Info

ID:	212664
PubChem CID:	81061415
Reduced:	BrNOC15H24 (1)
Stoich.:	ABCD15E24 (1)
Weight, g/mol:	276.183778
ΔH_f, kcal/mol:	-40.74
Dipole, Da:	2.18
IP(EA), eV:	-8.88(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-amine

Drug info:

PubChemData

Smile

CC(C)OCCN(C)CC(CBr)C1=CC=CC=C1

DOS

IR

Vibrations