Geometry & MOs

Info

ID:	49351
PubChem CID:	11532898
Reduced:	N2O7C25H30 (1)
Stoich.:	A2B7C25D30 (1)
Weight, g/mol:	470.229346
ΔH_f, kcal/mol:	-227.7
Dipole, Da:	6.91
IP(EA), eV:	-9.06(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-pyridin-2-ylethyl)-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

COCC1=CC=CC(=C1)CC(=O)CCN2CCOC(=O)N2CCOC3=CC=CC(=C3)C(=O)OC

DOS

IR

Vibrations