Geometry & MOs

Info

ID:	145433
PubChem CID:	53524224
Reduced:	O2N3C13H15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	312.12224
ΔH_f, kcal/mol:	-36.3
Dipole, Da:	2.65
IP(EA), eV:	-9.44(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl 1H-pyrazole-5-carboxylate

Drug info:

PubChemData

Smile

CNC(=O)C1=NN(C(=O)CC1)CC2=CC=CC=C2

DOS

IR

Vibrations