Geometry & MOs

Info

ID:	44044
PubChem CID:	10500606
Reduced:	N2O5C21H30 (1)
Stoich.:	A2B5C21D30 (1)
Weight, g/mol:	390.194343
ΔH_f, kcal/mol:	-238.05
Dipole, Da:	3.44
IP(EA), eV:	-9.71(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[6-[(4-cyanobenzoyl)amino]-1,2,3,4-tetrahydronaphthalen-2-yl]acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H]1CCCCN(C1=O)CCC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations