Geometry & MOs

Info

ID:	13863
PubChem CID:	399436
Reduced:	N2C11H14 (1)
Stoich.:	A2B11C14 (1)
Weight, g/mol:	174.115698
ΔH_f, kcal/mol:	77.01
Dipole, Da:	2.53
IP(EA), eV:	-9.26(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-benzylbut-2-yne-1,4-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNCC#CCN

DOS

IR

Vibrations