Geometry & MOs

Info

ID:	170466
PubChem CID:	75237046
Reduced:	NO8C25H42 (2)
Stoich.:	AB8C25D42 (2)
Weight, g/mol:	359.163377
ΔH_f, kcal/mol:	-729.1
Dipole, Da:	3.98
IP(EA), eV:	-8.4(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(naphthalene-1-carbonylamino)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)OC(=O)NCCC3=CC(=C(C=C3)OC)OC)(C)OC)C)OC4C(C(CC(O4)C)N(C)C)O)(C)OC)C)C)OC)(C)O

DOS

IR

Vibrations