Geometry & MOs

Info

ID:	369211
PubChem CID:	127331518
Reduced:	O2N5C20H29 (1)
Stoich.:	A2B5C20D29 (1)
Weight, g/mol:	378.251858
ΔH_f, kcal/mol:	-24.55
Dipole, Da:	4.99
IP(EA), eV:	-9.36(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyloxan-3-yl)methyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NCC3CCCOC3C(C)(C)C

DOS

IR

Vibrations