Geometry & MOs

Info

ID:	169812
PubChem CID:	75153630
Reduced:	N6O9C30H50 (1)
Stoich.:	A6B9C30D50 (1)
Weight, g/mol:	451.244662
ΔH_f, kcal/mol:	-382.56
Dipole, Da:	4.21
IP(EA), eV:	-10.03(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)N1C(OC(C1C(=O)OC)C2C(C(C(O2)N3CCC(=O)NC3=O)O)O)CN=[N+]=[N-]

DOS

IR

Vibrations