Geometry & MOs

Info

ID:	425056
PubChem CID:	135124995
Reduced:	O3N5C19H21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	367.16444
ΔH_f, kcal/mol:	0.11
Dipole, Da:	4.23
IP(EA), eV:	-9.59(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[3-(hydroxymethyl)phenyl]-5-[(1R,2R)-2-(1-methyltriazol-4-yl)cyclopropyl]pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=C1)C2=CC=CC(=C2)CO)C3CC3C4=CN(N=N4)C

DOS

IR

Vibrations