Geometry & MOs

Info

ID:	323595
PubChem CID:	126675542
Reduced:	IN2O2C13H13 (1)
Stoich.:	AB2C2D13E13 (1)
Weight, g/mol:	244.121178
ΔH_f, kcal/mol:	-4.63
Dipole, Da:	3.88
IP(EA), eV:	-9.3(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-methylpyrazol-1-yl)-3-phenylpropanoate

Drug info:

PubChemData

Smile

COC(=O)CC(C1=CC=CC=C1)N2C=C(C=N2)I

DOS

IR

Vibrations