Geometry & MOs

Info

ID:	182066
PubChem CID:	76835959
Reduced:	N2O5C31H32 (1)
Stoich.:	A2B5C31D32 (1)
Weight, g/mol:	359.189672
ΔH_f, kcal/mol:	-122.26
Dipole, Da:	4.9
IP(EA), eV:	-8.27(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-(3-benzyl-5-fluorophenyl)-3-hydroxypropan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1CC1CN2CCC34C5C(CCC3(C2CC6=C4C(=C(C=C6)O)O5)O)N7C(=O)CC(=CC8=CC=CC=C8)C7=O

DOS

IR

Vibrations