Geometry & MOs

Info

ID:	284999
PubChem CID:	104089150
Reduced:	NO2C18H27 (1)
Stoich.:	AB2C18D27 (1)
Weight, g/mol:	313.10002
ΔH_f, kcal/mol:	-43.82
Dipole, Da:	4.7
IP(EA), eV:	-8.45(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dichloro-2-pent-4-ynoxyphenyl)methyl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1OCCCC#C)CNCC(C)C

DOS

IR

Vibrations