Geometry & MOs

Info

ID:	425055
PubChem CID:	135124993
Reduced:	FNO5H28C30 (1)
Stoich.:	ABC5D28E30 (1)
Weight, g/mol:	367.16444
ΔH_f, kcal/mol:	-151.74
Dipole, Da:	6.65
IP(EA), eV:	-8.86(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC#CC(CC(=O)O)C1=CC=C(C=C1)O[C@@H]2CCC3=C(C=CC(=C23)F)C4=NC=C(C=C4)O[C@@H]5CCOC5

DOS

IR

Vibrations