Geometry & MOs

Info

ID:	404133
PubChem CID:	135065107
Reduced:	SN3O3H15C21 (1)
Stoich.:	AB3C3D15E21 (1)
Weight, g/mol:	308.092594
ΔH_f, kcal/mol:	78.53
Dipole, Da:	9.76
IP(EA), eV:	-9.41(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-dimethoxyphosphoryl-3-ethenyl-4-(3-methoxyphenyl)-1H-pyrazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)C2=NN(C=C2C3=CC=C(S3)[N+](=O)[O-])C4=CC=CC=C4

DOS

IR

Vibrations