Geometry & MOs

Info

ID:	61449
PubChem CID:	26709476
Reduced:	N2O4C25H34 (1)
Stoich.:	A2B4C25D34 (1)
Weight, g/mol:	500.258303
ΔH_f, kcal/mol:	-135.73
Dipole, Da:	1.69
IP(EA), eV:	-8.71(0.17)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(azepan-1-ylsulfonyl)-4-methoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CCC(=O)NCC2=CC=C(C=C2)CN3CCCCC3

DOS

IR

Vibrations