Geometry & MOs

Info

ID:	147259
PubChem CID:	53786913
Reduced:	OC16H18 (1)
Stoich.:	AB16C18 (1)
Weight, g/mol:	335.220892
ΔH_f, kcal/mol:	-14.61
Dipole, Da:	1.18
IP(EA), eV:	-8.31(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[5-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]pentyl]carbamate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OC)C2=CC=C(C=C2)C

DOS

IR

Vibrations