Geometry & MOs

Info

ID:	344496
PubChem CID:	127268080
Reduced:	OSN4C22H26 (1)
Stoich.:	ABC4D22E26 (1)
Weight, g/mol:	364.201159
ΔH_f, kcal/mol:	22.09
Dipole, Da:	3.18
IP(EA), eV:	-8.77(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-(1H-indol-2-yl)methanone

Drug info:

PubChemData

Smile

C1CCC(C1)C2=NC(=CS2)CN3CCN(CC3)C(=O)C4=CC5=CC=CC=C5N4

DOS

IR

Vibrations