Geometry & MOs

Info

ID:	247329
PubChem CID:	103070150
Reduced:	SN3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	237.220498
ΔH_f, kcal/mol:	53.52
Dipole, Da:	2.41
IP(EA), eV:	-8.77(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNCC(=C)CN(C)CC1=CSC=N1

DOS

IR

Vibrations