Geometry & MOs

Info

ID:	287059
PubChem CID:	104231738
Reduced:	N2O4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	290.126657
ΔH_f, kcal/mol:	-114.53
Dipole, Da:	4.17
IP(EA), eV:	-9.91(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-[(1S)-1-hydroxyethyl]-3-methoxyphenyl]pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN(N=C1)C2=C(C(=CC=C2)OC)[C@@H](C)O

DOS

IR

Vibrations