Geometry & MOs

Info

ID:	284997
PubChem CID:	104089057
Reduced:	BrNO2C17H24 (1)
Stoich.:	ABC2D17E24 (1)
Weight, g/mol:	275.188529
ΔH_f, kcal/mol:	-21.14
Dipole, Da:	4.64
IP(EA), eV:	-8.92(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations