Geometry & MOs

Info

ID:	123414
PubChem CID:	50846400
Reduced:	O2N4H22C23 (1)
Stoich.:	A2B4C22D23 (1)
Weight, g/mol:	420.241293
ΔH_f, kcal/mol:	5.92
Dipole, Da:	6.47
IP(EA), eV:	-9.13(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[1-(2,5-dimethylbenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)NC2=CC=CC(=C2)C3=CC(=CN=C3)C(=O)NCC4=CC=NC=C4

DOS

IR

Vibrations