Geometry & MOs

Info

ID:	284998
PubChem CID:	104089146
Reduced:	NO2C17H25 (1)
Stoich.:	AB2C17D25 (1)
Weight, g/mol:	289.204179
ΔH_f, kcal/mol:	-39.1
Dipole, Da:	2.39
IP(EA), eV:	-8.24(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-ethoxy-2-pent-4-ynoxyphenyl)methyl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

CC(C)(C)NCC1=CC(=C(C=C1)OC)OCCCC#C

DOS

IR

Vibrations