Geometry & MOs

Info

ID:	151748
PubChem CID:	56310448
Reduced:	N4O5C22H26 (1)
Stoich.:	A4B5C22D26 (1)
Weight, g/mol:	414.172562
ΔH_f, kcal/mol:	-93.37
Dipole, Da:	8.18
IP(EA), eV:	-8.76(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-[4-[acetyl(methyl)amino]piperidin-1-yl]acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations