Geometry & MOs

Info

ID:	418717
PubChem CID:	135106638
Reduced:	O3N5C16H17 (1)
Stoich.:	A3B5C16D17 (1)
Weight, g/mol:	367.1606
ΔH_f, kcal/mol:	-41.88
Dipole, Da:	3.49
IP(EA), eV:	-9.23(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4R,7aS)-2-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-4-phenyl-3,3a,5,6,7,7a-hexahydro-1H-isoindol-4-ol

Drug info:

PubChemData

Smile

CC1=NN=C(O1)CN(C)CC2=CC(=O)C3=C(N2)C=CC(=C3)C(=O)N

DOS

IR

Vibrations