Geometry & MOs

Info

ID:	212017
PubChem CID:	81059218
Reduced:	OSN2C16H24 (1)
Stoich.:	ABC2D16E24 (1)
Weight, g/mol:	245.210327
ΔH_f, kcal/mol:	-14.8
Dipole, Da:	3.45
IP(EA), eV:	-8.64(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-ethyl-3-[methyl(2-propan-2-yloxyethyl)amino]butanamide

Drug info:

PubChemData

Smile

CC(C)OCCN(C)C(CN)C1=CSC2=CC=CC=C21

DOS

IR

Vibrations