Geometry & MOs

Info

ID:	399007
PubChem CID:	135036992
Reduced:	N3C9H13 (1)
Stoich.:	A3B9C13 (1)
Weight, g/mol:	252.01498
ΔH_f, kcal/mol:	76.67
Dipole, Da:	4.19
IP(EA), eV:	-9.07(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromophenyl)-3-methylpent-1-yn-3-ol

Drug info:

PubChemData

Smile

CN1C=NC=C1CN(C)CC#C

DOS

IR

Vibrations