Geometry & MOs

Info

ID:	325981
PubChem CID:	126685891
Reduced:	ClO3N4C23H27 (1)
Stoich.:	AB3C4D23E27 (1)
Weight, g/mol:	170.141913
ΔH_f, kcal/mol:	-89.23
Dipole, Da:	4.55
IP(EA), eV:	-9.11(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(piperidin-1-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC1CC2=C(C=C(C=C2)N(C(=O)O)C(C)(C)C)C(=NN1C(=O)NC)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations