Geometry & MOs

Info

ID:	262320
PubChem CID:	103284478
Reduced:	NOC13H25 (1)
Stoich.:	ABC13D25 (1)
Weight, g/mol:	275.188529
ΔH_f, kcal/mol:	-38.91
Dipole, Da:	1.3
IP(EA), eV:	-9.16(1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-methoxy-2-(2-methylpentoxymethyl)phenyl]prop-2-yn-1-amine

Drug info:

PubChemData

Smile

CCCC(C)COCC(=C)CNC1CC1

DOS

IR

Vibrations