Geometry & MOs

Info

ID:	370714
PubChem CID:	127339965
Reduced:	O3N7C18H23 (1)
Stoich.:	A3B7C18D23 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-63.55
Dipole, Da:	0.67
IP(EA), eV:	-9.28(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[4-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)N3CCC(CC3)C4=CC=NN4

DOS

IR

Vibrations