Geometry & MOs

Info

ID:	236838
PubChem CID:	92714943
Reduced:	N2O2C19H22 (1)
Stoich.:	A2B2C19D22 (1)
Weight, g/mol:	352.178693
ΔH_f, kcal/mol:	-37.29
Dipole, Da:	3.01
IP(EA), eV:	-9.17(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-(3-methoxypropyl)-2-[(4-methylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCC(CC1)C2=CC=NC=C2)OC3=CC=CC=C3

DOS

IR

Vibrations