Geometry & MOs

Info

ID:	65351
PubChem CID:	29214768
Reduced:	N3O4H19C20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	378.335862
ΔH_f, kcal/mol:	-65.39
Dipole, Da:	7.02
IP(EA), eV:	-9.42(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S)-4-(cyclohexylmethylamino)-N-ethyl-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(O1)CN2C(=O)C=C(C=N2)N3CCC4=CC=CC=C4C3

DOS

IR

Vibrations