Geometry & MOs

Info

ID:	266548
PubChem CID:	103570306
Reduced:	SN4C16H18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	217.132746
ΔH_f, kcal/mol:	87.76
Dipole, Da:	2.73
IP(EA), eV:	-8.79(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-ethylpyrazol-4-yl)-3-prop-2-enylimidazol-4-amine

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2=NC(=CS2)CC(C3=CC=CC=C3)N

DOS

IR

Vibrations