Geometry & MOs

Info

ID:	169497
PubChem CID:	75111640
Reduced:	O2N5C25H35 (1)
Stoich.:	A2B5C25D35 (1)
Weight, g/mol:	531.346092
ΔH_f, kcal/mol:	1.39
Dipole, Da:	3.34
IP(EA), eV:	-7.67(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-hydroxy-3-[(2-methoxyphenyl)methylamino]-1,1,6-trimethyl-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CN3CCC4C3C(=O)NCC(N4C)CCC(=O)N5CCCC5

DOS

IR

Vibrations