Geometry & MOs

Info

ID:	440968
PubChem CID:	135232513
Reduced:	SN4C8H10 (1)
Stoich.:	AB4C8D10 (1)
Weight, g/mol:	203.142248
ΔH_f, kcal/mol:	58.88
Dipole, Da:	2.12
IP(EA), eV:	-9.05(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)pyrazol-3-amine

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)C2=NC(CS2)N

DOS

IR

Vibrations