Geometry & MOs

Info

ID:	180742
PubChem CID:	76679222
Reduced:	N5O9C41H55 (1)
Stoich.:	A5B9C41D55 (1)
Weight, g/mol:	362.210661
ΔH_f, kcal/mol:	-348.47
Dipole, Da:	3.3
IP(EA), eV:	-9.65(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-2-phenylethanone

Drug info:

PubChemData

Smile

CCCC(CC(=O)C1C(CCN1C(=O)C(CC(=O)C(C(C)C)NC(=O)C2=NC=CN=C2)C(C)C)C(=O)N(C)C)C(=O)C(=O)CC(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations