Geometry & MOs

Info

ID:	154836
PubChem CID:	56314376
Reduced:	O2N4C23H34 (1)
Stoich.:	A2B4C23D34 (1)
Weight, g/mol:	411.199443
ΔH_f, kcal/mol:	-34.93
Dipole, Da:	2.54
IP(EA), eV:	-8.43(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-propan-2-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)C(=O)NCCCCN2CCN(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations