Geometry & MOs

Info

ID:	333030
PubChem CID:	127251454
Reduced:	N3O3C24H31 (1)
Stoich.:	A3B3C24D31 (1)
Weight, g/mol:	447.213362
ΔH_f, kcal/mol:	-86.66
Dipole, Da:	4.36
IP(EA), eV:	-8.78(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]morpholin-4-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)CN3CCCC3)CC4=CC=C(C=C4)OC

DOS

IR

Vibrations