Geometry & MOs

Info

ID:	30238
PubChem CID:	840934
Reduced:	ClON4H13C16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	327.121906
ΔH_f, kcal/mol:	77.54
Dipole, Da:	7.18
IP(EA), eV:	-9.89(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-cyano-3-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoate

Drug info:

PubChemData

Smile

C1CC1NC(=O)/C(=C\C2=C(NN=C2)C3=CC=C(C=C3)Cl)/C#N

DOS

IR

Vibrations