Geometry & MOs

Info

ID:	247330
PubChem CID:	103070158
Reduced:	N3C14H27 (1)
Stoich.:	A3B14C27 (1)
Weight, g/mol:	235.204848
ΔH_f, kcal/mol:	9.33
Dipole, Da:	3.67
IP(EA), eV:	-8.82(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-methylpropyl)amino]propanenitrile

Drug info:

PubChemData

Smile

CC(C)CN(CCC#N)CC(=C)CNC(C)C

DOS

IR

Vibrations