Geometry & MOs

Info

ID:	179582
PubChem CID:	76503450
Reduced:	N5O6H23C25 (1)
Stoich.:	A5B6C23D25 (1)
Weight, g/mol:	496.233763
ΔH_f, kcal/mol:	171.44
Dipole, Da:	3.51
IP(EA), eV:	-8.94(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-hydroxypyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]-2,2-diphenylbutanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NOC2C(C(C(C(O2)C(=O)C3CC=N3)(C4=NC=C4)O)(C5=NC=C5)O)(C6=NC=C6)O

DOS

IR

Vibrations