Geometry & MOs

Info

ID:	414440
PubChem CID:	135087398
Reduced:	N5C14H25 (1)
Stoich.:	A5B14C25 (1)
Weight, g/mol:	311.188529
ΔH_f, kcal/mol:	18.69
Dipole, Da:	4.82
IP(EA), eV:	-8.58(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,7R,7aR)-7-hydroxy-7-phenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-cyclopent-3-en-1-ylmethanone

Drug info:

PubChemData

Smile

CCN(C)C1=NC=NC(=C1)N[C@@H]2CCC[C@H]2N(C)C

DOS

IR

Vibrations