Geometry & MOs

Info

ID:	426004
PubChem CID:	135134764
Reduced:	FO4N7C21H22 (1)
Stoich.:	AB4C7D21E22 (1)
Weight, g/mol:	283.138385
ΔH_f, kcal/mol:	-66.9
Dipole, Da:	2.59
IP(EA), eV:	-8.24(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (4S)-4-(aminomethyl)-3,3-difluorocyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=NC(=N2)NCCNC(=O)C3=NN=C(O3)C4CC=CC(=C4)F)N)OC

DOS

IR

Vibrations