Geometry & MOs

Info

ID:	361644
PubChem CID:	127303976
Reduced:	OSN7C18H19 (1)
Stoich.:	ABC7D18E19 (1)
Weight, g/mol:	372.195011
ΔH_f, kcal/mol:	108.83
Dipole, Da:	10.62
IP(EA), eV:	-9.51(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone

Drug info:

PubChemData

Smile

C1CC1N2C=NN=C2C3CCN(CC3)C(=O)C4=CN=C(S4)C5=NC=CC=N5

DOS

IR

Vibrations