Geometry & MOs

Info

ID:	172355
PubChem CID:	75497562
Reduced:	N5C20H31 (1)
Stoich.:	A5B20C31 (1)
Weight, g/mol:	212.106196
ΔH_f, kcal/mol:	31.24
Dipole, Da:	0.11
IP(EA), eV:	-8.29(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-but-2-ynyl-4-(1,2,4-triazol-1-yl)aniline

Drug info:

PubChemData

Smile

CCC1=C(C(=NN1C)CC)CNC2CCN(CC2)C3=CC=CC(=N3)C

DOS

IR

Vibrations