Geometry & MOs

Info

ID:	188282
PubChem CID:	77692770
Reduced:	ClO3N5C37H40 (1)
Stoich.:	AB3C5D37E40 (1)
Weight, g/mol:	378.288243
ΔH_f, kcal/mol:	-75.85
Dipole, Da:	5.47
IP(EA), eV:	-8.84(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-hydroxy-6-(3-hydroxyoct-1-enyl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]methylamino]-N,N-dimethylpropanamide

Drug info:

PubChemData

Smile

C1CNCCC1OC(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)N4CCC(CC4)N5C6=CC=CC=C6N=C5C7=CC=CC=C7.Cl

DOS

IR

Vibrations