Geometry & MOs

Info

ID:	448380
PubChem CID:	135290496
Reduced:	N2O4H20C21 (1)
Stoich.:	A2B4C20D21 (1)
Weight, g/mol:	352.178693
ΔH_f, kcal/mol:	-60.92
Dipole, Da:	2.53
IP(EA), eV:	-8.98(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,3-dihydroisoindol-2-yl)piperidin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=CC(=O)NC2=CC=CC=C2C(=O)O)CNCC#C

DOS

IR

Vibrations