Geometry & MOs

Info

ID:	296998
PubChem CID:	117605360
Reduced:	O4N5C14H21 (1)
Stoich.:	A4B5C14D21 (1)
Weight, g/mol:	516.248504
ΔH_f, kcal/mol:	-111.21
Dipole, Da:	2.81
IP(EA), eV:	-9.22(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-1-methyl-2,3-dihydroindol-6-yl]pyridin-2-yl]piperazine-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCCN1C(=O)C(NN(C1=O)C)C2=C(C(=O)N(N=C2)C)OC

DOS

IR

Vibrations