Geometry & MOs

Info

ID:	298275
PubChem CID:	117648209
Reduced:	FO3N7C25H32 (1)
Stoich.:	AB3C7D25E32 (1)
Weight, g/mol:	280.178693
ΔH_f, kcal/mol:	-81.9
Dipole, Da:	4.33
IP(EA), eV:	-8.34(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1R,2S)-1-amino-1-(4-methoxyphenyl)propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCOC[C@H]([C@H](C)NC(=O)OC(C)(C)C)NC1=C(C=C(C(=N1)NC2=CC3=C(C=C2)N(N=C3)C)C#N)F

DOS

IR

Vibrations