Geometry & MOs

Info

ID:	80776
PubChem CID:	49836682
Reduced:	N3O3C15H29 (1)
Stoich.:	A3B3C15D29 (1)
Weight, g/mol:	220.157563
ΔH_f, kcal/mol:	-184.95
Dipole, Da:	3.07
IP(EA), eV:	-9.26(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-amino-3-methylbutyl]-4-methylbenzamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)N

DOS

IR

Vibrations