Geometry & MOs

Info

ID:	277317
PubChem CID:	103827796
Reduced:	S2N3O4H21C24 (1)
Stoich.:	A2B3C4D21E24 (1)
Weight, g/mol:	241.215413
ΔH_f, kcal/mol:	-58.42
Dipole, Da:	5.79
IP(EA), eV:	-8.71(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[2-[cyclopropyl(methyl)amino]propyl]-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CSCC4=CN5C=CSC5=N4)C(=O)O

DOS

IR

Vibrations