Geometry & MOs

Info

ID:	389360
PubChem CID:	134992503
Reduced:	BNOC3H7 (1)
Stoich.:	ABCD3E7 (1)
Weight, g/mol:	198.198365
ΔH_f, kcal/mol:	33.0
Dipole, Da:	5.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.772703
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-2-methyl-4-propan-2-ylnon-2-en-5-ol

Drug info:

PubChemData

Smile

[B-][N+](C)(C)C=O

DOS

IR

Vibrations