Geometry & MOs

Info

ID:	291643
PubChem CID:	113454854
Reduced:	BrNOC15H16 (1)
Stoich.:	ABCD15E16 (1)
Weight, g/mol:	231.162314
ΔH_f, kcal/mol:	-10.29
Dipole, Da:	4.4
IP(EA), eV:	-9.36(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-(4-pent-3-ynoxyphenyl)propan-1-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C)(CC2=CC(=CN=C2)Br)O

DOS

IR

Vibrations