Geometry & MOs

Info

ID:	415751
PubChem CID:	135088751
Reduced:	ON4C14H26 (1)
Stoich.:	AB4C14D26 (1)
Weight, g/mol:	308.155849
ΔH_f, kcal/mol:	-45.25
Dipole, Da:	4.13
IP(EA), eV:	-9.17(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7R,7aR)-7-ethyl-7-hydroxy-N-(thiophen-2-ylmethyl)-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)CCN(C)CC(=O)NCC(C)C

DOS

IR

Vibrations