Geometry & MOs

Info

ID:	438786
PubChem CID:	135228543
Reduced:	N2O5C29H34 (1)
Stoich.:	A2B5C29D34 (1)
Weight, g/mol:	449.156241
ΔH_f, kcal/mol:	-181.49
Dipole, Da:	4.11
IP(EA), eV:	-8.69(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-N-(1,3-benzodioxol-5-ylmethyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3,4-dicarboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)OC)C4=CN(C(=O)C=C4)C(C)C)C(C)(C)C

DOS

IR

Vibrations