Geometry & MOs

Info

ID:	49617
PubChem CID:	11533370
Reduced:	F3O3N4C25H37 (1)
Stoich.:	A3B3C4D25E37 (1)
Weight, g/mol:	498.249172
ΔH_f, kcal/mol:	-291.76
Dipole, Da:	5.32
IP(EA), eV:	-8.86(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[4-[[2-[(2-methylindazol-6-yl)carbamoyl]anilino]methyl]pyridin-2-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1COCCC1N[C@H]2CC[C@@](C2)(C(=O)N3CCN(CC3)C4=CC=CC(=N4)C(F)(F)F)C(C)(C)O

DOS

IR

Vibrations