Geometry & MOs

Info

ID:	85242
PubChem CID:	49872863
Reduced:	ON2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	444.252526
ΔH_f, kcal/mol:	57.12
Dipole, Da:	1.99
IP(EA), eV:	-8.91(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-oxo-2-[1-[(1-propan-2-ylindol-3-yl)methyl]piperidin-4-yl]-1H-isoindole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C#CC2=CN(C(=N2)C)C3=CC(=O)N(N=C3)CCOC

DOS

IR

Vibrations