Geometry & MOs

Info

ID:	213047
PubChem CID:	81062639
Reduced:	NSO3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	267.231063
ΔH_f, kcal/mol:	-74.99
Dipole, Da:	3.77
IP(EA), eV:	-9.02(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanenitrile

Drug info:

PubChemData

Smile

CCOCCN(C)C(=O)C1=C(C=CS1)C#CCCO

DOS

IR

Vibrations