Geometry & MOs

Info

ID:	13864
PubChem CID:	399437
Reduced:	NC6H8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	188.131349
ΔH_f, kcal/mol:	71.19
Dipole, Da:	2.56
IP(EA), eV:	-9.21(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2-phenylethyl)but-2-yne-1,4-diamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations