Geometry & MOs

Info

ID:	360914
PubChem CID:	127301620
Reduced:	O3N5C21H29 (1)
Stoich.:	A3B5C21D29 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-85.18
Dipole, Da:	5.84
IP(EA), eV:	-9.38(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanone

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)N(C2=O)CCC(=O)N3CCC(CC3)C4=NN=CN4C5CC5

DOS

IR

Vibrations