Geometry & MOs

Info

ID:	327837
PubChem CID:	126691138
Reduced:	N2C13H31 (1)
Stoich.:	A2B13C31 (1)
Weight, g/mol:	163.98368
ΔH_f, kcal/mol:	-4.19
Dipole, Da:	1.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751495
Charge, e:	0

Chem-info

IUPAC name:

(E)-5-bromopent-3-en-2-ol

Drug info:

PubChemData

Smile

CCN(C)C(C)(C)C[N+](C)(C)C(C)(C)C

DOS

IR

Vibrations