Geometry & MOs

Info

ID:	187387
PubChem CID:	77567947
Reduced:	F3N4O5C25H25 (1)
Stoich.:	A3B4C5D25E25 (1)
Weight, g/mol:	221.105193
ΔH_f, kcal/mol:	-338.49
Dipole, Da:	9.7
IP(EA), eV:	-9.9(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-oxo-1-phenylpentan-3-yl)carbamic acid

Drug info:

PubChemData

Smile

C1CC(=O)NCC1C2=CC(=C(C=C2)CN(CC3=CC=CC=C3)C(=O)C4CC(=O)NC(=O)N4)OC(F)(F)F

DOS

IR

Vibrations