Geometry & MOs

Info

ID:	284996
PubChem CID:	104089051
Reduced:	BrNO2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	353.09904
ΔH_f, kcal/mol:	-14.0
Dipole, Da:	4.41
IP(EA), eV:	-8.98(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations