Geometry & MOs

Info

ID:	185081
PubChem CID:	77251673
Reduced:	O2F3N4C16H17 (1)
Stoich.:	A2B3C4D16E17 (1)
Weight, g/mol:	240.147393
ΔH_f, kcal/mol:	-191.68
Dipole, Da:	3.3
IP(EA), eV:	-9.04(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6,6-dimethyl-2-(methylcarbamoyl)-3-bicyclo[3.1.1]heptanyl]carbamic acid

Drug info:

PubChemData

Smile

C1CN2CCC1C(C2)NC(=O)C3=NNC4=C3C=CC(=C4)OC(F)(F)F

DOS

IR

Vibrations