Geometry & MOs

Info

ID:	229206
PubChem CID:	87567179
Reduced:	N7O7C40H77 (1)
Stoich.:	A7B7C40D77 (1)
Weight, g/mol:	270.117984
ΔH_f, kcal/mol:	-429.36
Dipole, Da:	7.52
IP(EA), eV:	-9.54(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(benzylamino) 3,3-difluoropiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(=O)NC(CCN=C(N)N)[C@](C(=O)O)(NC(=O)CCCCCCCCCCCCC)N(C(=O)CN)C(=O)OC(C)C

DOS

IR

Vibrations