Geometry & MOs

Info

ID:	296340
PubChem CID:	117569441
Reduced:	N3C8H9 (1)
Stoich.:	A3B8C9 (1)
Weight, g/mol:	116.131349
ΔH_f, kcal/mol:	57.7
Dipole, Da:	6.18
IP(EA), eV:	-8.95(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-butan-2-yl-N-methylmethanediamine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NCN)C#N

DOS

IR

Vibrations