Geometry & MOs

Info

ID:	359590
PubChem CID:	127298864
Reduced:	O3N5C19H23 (1)
Stoich.:	A3B5C19D23 (1)
Weight, g/mol:	387.20591
ΔH_f, kcal/mol:	-13.79
Dipole, Da:	5.24
IP(EA), eV:	-8.65(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-azatricyclo[4.3.1.13,8]undecan-4-yl-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC3=C(C=C2)OCCO3)C(=O)N4CCN(CC4)C5CC5

DOS

IR

Vibrations