Geometry & MOs

Info

ID:	164623
PubChem CID:	74427108
Reduced:	O4N5C37H45 (1)
Stoich.:	A4B5C37D45 (1)
Weight, g/mol:	509.205836
ΔH_f, kcal/mol:	-125.02
Dipole, Da:	5.16
IP(EA), eV:	-9.17(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[methyl-[4-(4-methylphenyl)butyl]amino]-7-bicyclo[2.2.1]heptanyl] 2-hydroxy-2,2-dithiophen-2-ylacetate

Drug info:

PubChemData

Smile

CC(C(=O)NC1CN(CCC2CCC(N2C1=O)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)CCCC5=CC=CC=C5)NC

DOS

IR

Vibrations