Geometry & MOs

Info

ID:	392910
PubChem CID:	135018423
Reduced:	BrN3H14C15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	307.189592
ΔH_f, kcal/mol:	75.85
Dipole, Da:	2.87
IP(EA), eV:	-8.47(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S)-6-amino-1-(dimethylamino)-1-oxohexan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC2=CN=C3N2C=C(C=C3)Br

DOS

IR

Vibrations