Geometry & MOs

Info

ID:	47702
PubChem CID:	10534842
Reduced:	NOC9H13 (1)
Stoich.:	ABC9D13 (1)
Weight, g/mol:	152.058578
ΔH_f, kcal/mol:	-20.11
Dipole, Da:	1.14
IP(EA), eV:	-9.44(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-3-(1H-pyrazol-5-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CO[C@@H](CN)C1=CC=CC=C1

DOS

IR

Vibrations