Geometry & MOs

Info

ID:	309900
PubChem CID:	126566187
Reduced:	O2N5C27H33 (1)
Stoich.:	A2B5C27D33 (1)
Weight, g/mol:	269.123878
ΔH_f, kcal/mol:	-46.99
Dipole, Da:	4.92
IP(EA), eV:	-8.26(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3,3,3-trifluoropropoxymethyl)cyclohexyl]carbamic acid

Drug info:

PubChemData

Smile

CC[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@@H](CC3=CNC4=CC=CC=C43)NC(=O)C(C)(C)N

DOS

IR

Vibrations