Geometry & MOs

Info

ID:	313660
PubChem CID:	126616823
Reduced:	ON2C15H30 (1)
Stoich.:	AB2C15D30 (1)
Weight, g/mol:	602.098697
ΔH_f, kcal/mol:	-100.0
Dipole, Da:	3.42
IP(EA), eV:	-9.41(1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,2-bis(4-chlorophenyl)-2-[4-nitro-3-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenyl]acetate

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)C(=O)NCCCCN)C(C)C

DOS

IR

Vibrations