Geometry & MOs

Info

ID:	284995
PubChem CID:	104089010
Reduced:	NO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	339.08339
ΔH_f, kcal/mol:	-26.73
Dipole, Da:	2.79
IP(EA), eV:	-8.4(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromo-5-methoxy-4-pent-4-ynoxyphenyl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCNCC1=C(C(=CC=C1)OC)OCCCC#C

DOS

IR

Vibrations