Geometry & MOs

Info

ID:	207080
PubChem CID:	80342700
Reduced:	N3O3C13H21 (1)
Stoich.:	A3B3C13D21 (1)
Weight, g/mol:	223.05124
ΔH_f, kcal/mol:	-108.58
Dipole, Da:	3.23
IP(EA), eV:	-8.87(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-(4-chloropyrazol-1-yl)pyridin-4-yl]ethanol

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=NC=C1)N(C)CC(=O)NCCOC)O

DOS

IR

Vibrations