Geometry & MOs

Info

ID:	380116
PubChem CID:	134965048
Reduced:	NOSiC12H26 (1)
Stoich.:	ABCD12E26 (1)
Weight, g/mol:	255.108228
ΔH_f, kcal/mol:	-111.1
Dipole, Da:	1.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753513
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclohexylmethyl)-1,1,1-trifluoro-3-nitropropan-2-ol

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1=[N+](CCCC1)C

DOS

IR

Vibrations