Geometry & MOs

Info

ID:	361618
PubChem CID:	127303884
Reduced:	O2N5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	388.226312
ΔH_f, kcal/mol:	-30.62
Dipole, Da:	2.81
IP(EA), eV:	-8.96(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-naphthalen-1-ylcyclopropyl)-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)N1C=NN=C1C2CCCN(C2)C(=O)C3=CC=CC(=C3)CN4CCOCC4

DOS

IR

Vibrations