Geometry & MOs

Info

ID:	177984
PubChem CID:	76260260
Reduced:	NO2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	463.315855
ΔH_f, kcal/mol:	-112.6
Dipole, Da:	8.0
IP(EA), eV:	-8.79(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-ethyl-2,4-dioxo-7-propan-2-yl-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-5-carbonyl)-N-pentylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)C=CC(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)C)OC

DOS

IR

Vibrations