Geometry & MOs

Info

ID:	447136
PubChem CID:	135280596
Reduced:	O4N5C39H51 (1)
Stoich.:	A4B5C39D51 (1)
Weight, g/mol:	199.114319
ΔH_f, kcal/mol:	-135.87
Dipole, Da:	8.65
IP(EA), eV:	-8.49(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylsulfanylpropan-2-yl)-4-propan-2-yltriazole

Drug info:

PubChemData

Smile

CCN(C1CCCN(C1)C(=O)C=C)C2=CC(=CC(=C2C)C(=O)NCC3=C(C=C(NC3=O)C)C)C4=CC=C(C=C4)CN5CCC(CC5)OC

DOS

IR

Vibrations