Geometry & MOs

Info

ID:	430150
PubChem CID:	135170213
Reduced:	N3C22H35 (1)
Stoich.:	A3B22C35 (1)
Weight, g/mol:	395.278407
ΔH_f, kcal/mol:	-4.46
Dipole, Da:	2.52
IP(EA), eV:	-8.43(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-[1-[6-[ethoxy(hydroxy)methyl]-6-azaspiro[3.4]octan-2-yl]piperidin-4-yl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(C=C2C(=C1)CC(C(=N2)C)(C)CCCNC)CN3CCCC3

DOS

IR

Vibrations