Geometry & MOs

Info

ID:	430506
PubChem CID:	135170572
Reduced:	O3N4C31H38 (1)
Stoich.:	A3B4C31D38 (1)
Weight, g/mol:	123.079647
ΔH_f, kcal/mol:	-44.1
Dipole, Da:	4.87
IP(EA), eV:	-8.54(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-3-methyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CC(=C)C(=O)NCCCNCC1=C2C=CC(=CC2=C(C3=CC=CC=C31)CNCCCNC(=O)C(=C)C)C=O

DOS

IR

Vibrations