Geometry & MOs

Info

ID:	158541
PubChem CID:	56464152
Reduced:	N3O4C23H29 (1)
Stoich.:	A3B4C23D29 (1)
Weight, g/mol:	422.231791
ΔH_f, kcal/mol:	-74.29
Dipole, Da:	7.21
IP(EA), eV:	-8.34(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)CC(O2)C)/C=C/C(=O)NC(C3=NC(=NO3)C4CC4)C(C)C

DOS

IR

Vibrations