Geometry & MOs

Info

ID:	448365
PubChem CID:	135290412
Reduced:	SN4O7H12C14 (1)
Stoich.:	AB4C7D12E14 (1)
Weight, g/mol:	433.272927
ΔH_f, kcal/mol:	-157.75
Dipole, Da:	11.41
IP(EA), eV:	-10.19(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,3-dihydroisoindol-2-yl)piperidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=NC2=C(C(=CC=C2)[N+](=O)[O-])C(=O)N1C3CCC(=O)NC3=O

DOS

IR

Vibrations