Geometry & MOs

Info

ID:	335935
PubChem CID:	127254942
Reduced:	SO3N6C13H18 (1)
Stoich.:	AB3C6D13E18 (1)
Weight, g/mol:	390.230728
ΔH_f, kcal/mol:	-26.07
Dipole, Da:	2.74
IP(EA), eV:	-9.87(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-methoxynaphthalen-1-yl)pyrrolidin-1-yl]-6-pyrrol-1-ylhexan-1-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=NC(=C(S1)CC(C)C)C(=O)OC)N2C=NN=N2

DOS

IR

Vibrations