Geometry & MOs

Info

ID:	155319
PubChem CID:	56352906
Reduced:	ClN4O5H15C18 (1)
Stoich.:	AB4C5D15E18 (1)
Weight, g/mol:	413.250084
ΔH_f, kcal/mol:	-20.77
Dipole, Da:	5.58
IP(EA), eV:	-9.7(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[ethyl(propan-2-yl)amino]methyl]-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCNC(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations