Geometry & MOs

Info

ID:	278988
PubChem CID:	103840300
Reduced:	NOC8H13 (2)
Stoich.:	ABC8D13 (2)
Weight, g/mol:	279.161663
ΔH_f, kcal/mol:	-92.76
Dipole, Da:	5.1
IP(EA), eV:	-8.7(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-2-ethyl-N-[3-(methanesulfonamido)propyl]butanamide

Drug info:

PubChemData

Smile

CCC(CC)(CN)C(=O)NCCC1=CC(=CC=C1)OC

DOS

IR

Vibrations