Geometry & MOs

Info

ID:	193875
PubChem CID:	78450108
Reduced:	NO4C22H31 (1)
Stoich.:	AB4C22D31 (1)
Weight, g/mol:	394.201833
ΔH_f, kcal/mol:	-202.73
Dipole, Da:	7.01
IP(EA), eV:	-9.11(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[[7-[1-(benzylamino)-1-oxopropan-2-yl]-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C2=C1CCC(C2)C(C)C(=O)NC3CCCC3)C)OCC(=O)O

DOS

IR

Vibrations