Geometry & MOs

Info

ID:	154507
PubChem CID:	56313963
Reduced:	FO2N5H22C25 (1)
Stoich.:	AB2C5D22E25 (1)
Weight, g/mol:	450.213027
ΔH_f, kcal/mol:	24.77
Dipole, Da:	6.99
IP(EA), eV:	-9.27(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NN=C3N2C=CC=C3)C(=O)/C=C/C4=CC(=C(C=C4)OC5=CN=CC=C5)F

DOS

IR

Vibrations