Geometry & MOs

Info

ID:	85113
PubChem CID:	49871851
Reduced:	N8O11C29H48 (1)
Stoich.:	A8B11C29D48 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	-453.68
Dipole, Da:	4.69
IP(EA), eV:	-9.38(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CO)C(=O)NCCO/N=C/C(C(C(CO)O)O)O)NC(=O)[C@@H]2CCCN2C(=O)C

DOS

IR

Vibrations