Geometry & MOs

Info

ID:	154918
PubChem CID:	56314467
Reduced:	BrO2F3N5H13C18 (1)
Stoich.:	AB2C3D5E13F18 (1)
Weight, g/mol:	445.218841
ΔH_f, kcal/mol:	-127.93
Dipole, Da:	5.13
IP(EA), eV:	-9.31(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoyl]piperazin-1-yl]-N-propylacetamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)CN2C=CC(=N2)C(F)(F)F)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations