Geometry & MOs

Info

ID:	274271
PubChem CID:	103808135
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	236.152478
ΔH_f, kcal/mol:	-86.36
Dipole, Da:	5.63
IP(EA), eV:	-8.8(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-[2-(2-methoxyphenyl)ethyl]butanamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CCNC(=O)C2CCCCC2N

DOS

IR

Vibrations