Geometry & MOs

Info

ID:	375155
PubChem CID:	131472701
Reduced:	N2O2C11H14 (1)
Stoich.:	A2B2C11D14 (1)
Weight, g/mol:	206.141913
ΔH_f, kcal/mol:	-37.53
Dipole, Da:	4.32
IP(EA), eV:	-9.22(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(1S)-1-aminopropyl]-3-methylphenyl]acetamide

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C1=C(C=C(C=C1)OC)C#N)N)O

DOS

IR

Vibrations