Geometry & MOs

Info

ID:	317461
PubChem CID:	126638129
Reduced:	N4O4C23H30 (1)
Stoich.:	A4B4C23D30 (1)
Weight, g/mol:	325.103811
ΔH_f, kcal/mol:	-162.41
Dipole, Da:	3.98
IP(EA), eV:	-8.8(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7-dimethyl-3-(2,2,2-trifluoroethyl)-8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-4-carboxamide

Drug info:

PubChemData

Smile

CC1(C2=C(C3=C(O1)C=NC=C3)NC(=C2)C(=O)NC4CCN(CC4)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations