Geometry & MOs

Info

ID:	121117
PubChem CID:	50756457
Reduced:	O3N4C27H40 (1)
Stoich.:	A3B4C27D40 (1)
Weight, g/mol:	423.19582
ΔH_f, kcal/mol:	-111.13
Dipole, Da:	2.57
IP(EA), eV:	-8.62(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-10-[(4-fluorophenyl)methyl]-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(O1)C=C3N2CC(N(C3=O)CCN(C)C4CCCCC4)(C)C(=O)NC5CCCCC5

DOS

IR

Vibrations