Geometry & MOs

Info

ID:	249951
PubChem CID:	103093076
Reduced:	SCl2N2C9H12 (1)
Stoich.:	AB2C2D9E12 (1)
Weight, g/mol:	179.142248
ΔH_f, kcal/mol:	29.6
Dipole, Da:	4.79
IP(EA), eV:	-9.07(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,3-dimethyl-4-(2-methylpyrazol-3-yl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CC(C(=CC1=C(N=C(S1)Cl)Cl)C)NC

DOS

IR

Vibrations