Geometry & MOs

Info

ID:	154816
PubChem CID:	56314343
Reduced:	FO2N3H20C24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	447.176976
ΔH_f, kcal/mol:	-9.38
Dipole, Da:	5.43
IP(EA), eV:	-8.42(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CCNC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations