Geometry & MOs

Info

ID:	154212
PubChem CID:	56313617
Reduced:	FN3O3C25H30 (1)
Stoich.:	AB3C3D25E30 (1)
Weight, g/mol:	444.223592
ΔH_f, kcal/mol:	-94.23
Dipole, Da:	2.67
IP(EA), eV:	-8.87(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-1-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCCN2C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations