Geometry & MOs

Info

ID:	235364
PubChem CID:	92309642
Reduced:	N2O5C23H24 (1)
Stoich.:	A2B5C23D24 (1)
Weight, g/mol:	380.173607
ΔH_f, kcal/mol:	-172.61
Dipole, Da:	9.23
IP(EA), eV:	-8.94(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methoxyphenyl)methyl]-3-oxo-2-[[(2S)-oxolan-2-yl]methyl]-1H-isoindole-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC3=C2C(=O)N(C3)C[C@H]4CCCO4

DOS

IR

Vibrations