Geometry & MOs

Info

ID:	79824
PubChem CID:	49830629
Reduced:	ON4C15H18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	458.214033
ΔH_f, kcal/mol:	7.91
Dipole, Da:	7.11
IP(EA), eV:	-9.74(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[3-(cyclopropylmethoxy)prop-1-ynyl]thiophen-3-yl]-6-[(4-methylpiperazin-1-yl)methyl]-1,4-dihydroindeno[1,2-c]pyrazole

Drug info:

PubChemData

Smile

C1CCC(CC1)NC2=NC(=O)C=C(N2)C3=CC=NC=C3

DOS

IR

Vibrations