Geometry & MOs

Info

ID:

317460

PubChem CID:

126638125

Reduced:

ON6C26H30 (1)

Stoich.:

AB6C26D30 (1)

Weight, g/mol:

426.226705

ΔHf, kcal/mol:

50.8

Dipole, Da:

1.75

IP(EA), eV:

 -8.43(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[(7,7-dimethyl-8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-4-carbonyl)amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CC1CNC2=NC3=C(C=CC(=C3)CCC4CC(C(C4)O)N5C=CC6=C(N=CN=C65)N)C=C2

DOS

IR

Vibrations