Geometry & MOs

Info

ID:	50989
PubChem CID:	12013595
Reduced:	SO3N5C14H15 (1)
Stoich.:	AB3C5D14E15 (1)
Weight, g/mol:	331.146681
ΔH_f, kcal/mol:	47.08
Dipole, Da:	7.12
IP(EA), eV:	-9.31(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,3-dimethyl-5-methylsulfanylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)N/N=C/C2=CC(=CC=C2)[N+](=O)[O-])SC)C

DOS

IR

Vibrations