Geometry & MOs

Info

ID:	49555
PubChem CID:	11533234
Reduced:	OCl2N3C27H35 (1)
Stoich.:	AB2C3D27E35 (1)
Weight, g/mol:	488.192292
ΔH_f, kcal/mol:	-34.33
Dipole, Da:	7.12
IP(EA), eV:	-8.61(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-N-[(1-oxidopyridin-1-ium-3-yl)methyl]carbamate

Drug info:

PubChemData

Smile

C1CC(CCC1C2=CC=CC=C2)C(=O)NCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations