Geometry & MOs

Info

ID:	277846
PubChem CID:	103831227
Reduced:	BrON2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	-41.21
Dipole, Da:	3.17
IP(EA), eV:	-9.74(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2S)-2-aminohexanoyl]amino]-4-methoxybenzamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NCC1=CC(=CC=C1)Br)N

DOS

IR

Vibrations