Geometry & MOs

Info

ID:	349666
PubChem CID:	127275818
Reduced:	O2N7C20H25 (1)
Stoich.:	A2B7C20D25 (1)
Weight, g/mol:	393.216475
ΔH_f, kcal/mol:	9.39
Dipole, Da:	9.09
IP(EA), eV:	-8.94(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2,3-dimethyl-1H-indole-7-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(C=N2)C(=O)N3CCC(CC3)CNC(=O)C4=CN(N=C4)C)C

DOS

IR

Vibrations