Geometry & MOs

Info

ID:	449715
PubChem CID:	135300882
Reduced:	N3H17C19 (1)
Stoich.:	A3B17C19 (1)
Weight, g/mol:	155.051718
ΔH_f, kcal/mol:	100.9
Dipole, Da:	3.17
IP(EA), eV:	-8.17(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methyltriazol-1-yl)propanethial

Drug info:

PubChemData

Smile

CC1(C=NC2=C(N=C1)N(C3=CC=CC=C32)C4=CC=CC=C4)C

DOS

IR

Vibrations