Geometry & MOs

Info

ID:	187178
PubChem CID:	77539710
Reduced:	FN3O4C31H36 (1)
Stoich.:	AB3C4D31E36 (1)
Weight, g/mol:	314.220557
ΔH_f, kcal/mol:	-148.72
Dipole, Da:	6.55
IP(EA), eV:	-8.71(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(butylamino)-1-cyclohexyl-3-hydroxy-5-oxopentan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1(CN(CCN1C(=O)O)CC2=CC=C(C=C2)N(C)C(=O)C3=CC=CC=C3OC4=CC=C(C=C4)F)C(C)(C)C

DOS

IR

Vibrations