Geometry & MOs

Info

ID:	342614
PubChem CID:	127265774
Reduced:	O2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	229.121512
ΔH_f, kcal/mol:	-14.09
Dipole, Da:	3.94
IP(EA), eV:	-9.03(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-methoxyphenyl)but-3-enyl]-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C=CC2=CC=NN2C)C(=O)C

DOS

IR

Vibrations