Geometry & MOs

Info

ID:	217891
PubChem CID:	85088541
Reduced:	PN3O7C17H20 (1)
Stoich.:	AB3C7D17E20 (1)
Weight, g/mol:	409.158881
ΔH_f, kcal/mol:	-294.65
Dipole, Da:	7.31
IP(EA), eV:	-9.48(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-[2-(dimethylamino)ethyl]-2,5-dihydropyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC=C1OP2(=O)COC(CO2)CN3C=CC(=NC3=O)N

DOS

IR

Vibrations