Geometry & MOs

Info

ID:	50991
PubChem CID:	12013598
Reduced:	ClOSN4C14H15 (1)
Stoich.:	ABCD4E14F15 (1)
Weight, g/mol:	304.099397
ΔH_f, kcal/mol:	42.69
Dipole, Da:	7.04
IP(EA), eV:	-8.91(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-5-methylsulfanyl-N'-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]pyrazole-4-carbohydrazide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)N/N=C/C2=CC=C(C=C2)Cl)SC)C

DOS

IR

Vibrations