Geometry & MOs

Info

ID:	433982
PubChem CID:	135174132
Reduced:	N2O3C26H28 (1)
Stoich.:	A2B3C26D28 (1)
Weight, g/mol:	445.093552
ΔH_f, kcal/mol:	-49.81
Dipole, Da:	3.51
IP(EA), eV:	-9.12(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[2-chloro-4-[(pyrrolidin-3-ylmethylamino)methyl]phenyl]-2-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)OCCO)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations