Geometry & MOs

Info

ID:	258588
PubChem CID:	103155500
Reduced:	O2N5C13H19 (1)
Stoich.:	A2B5C13D19 (1)
Weight, g/mol:	279.194677
ΔH_f, kcal/mol:	-23.77
Dipole, Da:	5.09
IP(EA), eV:	-9.35(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[2-(dimethylamino)-1-phenylethyl]-3-methoxybutanamide

Drug info:

PubChemData

Smile

COC(CC(=O)NCCC1=NN=C2N1C=CC=C2)CN

DOS

IR

Vibrations