Geometry & MOs

Info

ID:	179723
PubChem CID:	76522312
Reduced:	N2O4C11H18 (1)
Stoich.:	A2B4C11D18 (1)
Weight, g/mol:	400.172425
ΔH_f, kcal/mol:	-170.92
Dipole, Da:	5.46
IP(EA), eV:	-9.72(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

N-tert-butyl-N-(4,4-difluoro-3-hydroxy-1,6-diphenylhex-5-yn-2-yl)carbamate

Drug info:

PubChemData

Smile

CC(C)(C)N(C1C2N(C1=O)CCCO2)C(=O)O

DOS

IR

Vibrations