Geometry & MOs

Info

ID:	244213
PubChem CID:	99319424
Reduced:	O3N5C25H25 (1)
Stoich.:	A3B5C25D25 (1)
Weight, g/mol:	479.137862
ΔH_f, kcal/mol:	-2.94
Dipole, Da:	2.97
IP(EA), eV:	-9.35(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(2R)-2-[(2,4-dichlorobenzoyl)amino]-3-methylbutanoyl]piperidin-4-yl]-3-methylfuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC=C1)C(=O)NC2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

DOS

IR

Vibrations