Geometry & MOs

Info

ID:	140061
PubChem CID:	52639095
Reduced:	O2F3N3C19H22 (1)
Stoich.:	A2B3C3D19E22 (1)
Weight, g/mol:	368.07356
ΔH_f, kcal/mol:	-212.87
Dipole, Da:	2.83
IP(EA), eV:	-9.4(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl 3-[(4-bromophenyl)carbamoylamino]propanoate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=NC=C(C=C2)C(F)(F)F)C)CC(=O)OC3CCCCC3

DOS

IR

Vibrations