Geometry & MOs

Info

ID:	246021
PubChem CID:	103036128
Reduced:	NO2C16H33 (1)
Stoich.:	AB2C16D33 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	-147.82
Dipole, Da:	2.66
IP(EA), eV:	-8.9(2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3-methoxy-3-methylbutoxy)-2-methylphenyl]prop-2-yn-1-amine

Drug info:

PubChemData

Smile

CCOC1(CCCC(C1)C)C(CCC(C)(C)OC)N

DOS

IR

Vibrations