Geometry & MOs

Info

ID:	187625
PubChem CID:	77599215
Reduced:	FN5O6C26H37 (1)
Stoich.:	AB5C6D26E37 (1)
Weight, g/mol:	400.11654
ΔH_f, kcal/mol:	-243.91
Dipole, Da:	5.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756750
Charge, e:	0

Chem-info

IUPAC name:

2-phenoxy-N-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1CC[N+](=C2C=C3C(C=C2F)C(=O)N(C(=O)N3C4CC4)NC(=O)OC(C)(C)C)C1

DOS

IR

Vibrations