Geometry & MOs

Info

ID:	264356
PubChem CID:	103456869
Reduced:	NO2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	220.14633
ΔH_f, kcal/mol:	-57.74
Dipole, Da:	1.86
IP(EA), eV:	-9.95(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-2-(2,4,5-trimethylphenyl)ethane-1,2-diol

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)C(C(C2CC2)O)O

DOS

IR

Vibrations