Geometry & MOs

Info

ID:	274884
PubChem CID:	103812264
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	228.183778
ΔH_f, kcal/mol:	-85.85
Dipole, Da:	6.17
IP(EA), eV:	-9.3(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methyl-N-[1-(oxan-4-yl)ethyl]butanamide

Drug info:

PubChemData

Smile

CC(C1CCOCC1)NC(=O)C(CN)C2=CC=CC=C2

DOS

IR

Vibrations