Geometry & MOs

Info

ID:	402718
PubChem CID:	135057009
Reduced:	O2N3C9H13 (1)
Stoich.:	A2B3C9D13 (1)
Weight, g/mol:	207.089543
ΔH_f, kcal/mol:	-27.95
Dipole, Da:	1.68
IP(EA), eV:	-9.84(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2-methyl-1-(4-nitrophenyl)but-3-en-1-ol

Drug info:

PubChemData

Smile

C/C=C/CC1=NC(=NC(=N1)OC)OC

DOS

IR

Vibrations