Geometry & MOs

Info

ID:	256029
PubChem CID:	103136507
Reduced:	ON2H16C18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	259.157229
ΔH_f, kcal/mol:	42.34
Dipole, Da:	4.45
IP(EA), eV:	-8.76(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methyl-4-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-yn-1-amine

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C2O1)C(C3=CC=CC4=C3C=NC=C4)N

DOS

IR

Vibrations