Geometry & MOs

Info

ID:	310402
PubChem CID:	126579812
Reduced:	NOS4C53H79 (1)
Stoich.:	ABC4D53E79 (1)
Weight, g/mol:	334.152872
ΔH_f, kcal/mol:	-99.24
Dipole, Da:	1.59
IP(EA), eV:	-8.41(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-propan-2-yloxybenzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC1=C(SC(=C1)C2=CC=C(S2)C3=CC(=C(S3)C4=C5C(=C(S4)C)C(=C)N(C5=O)CCCCCCCC)CCCCCCCCCCCC)C

DOS

IR

Vibrations