Geometry & MOs

Info

ID:	423888
PubChem CID:	135120636
Reduced:	N2O2C19H28 (1)
Stoich.:	A2B2C19D28 (1)
Weight, g/mol:	591.285698
ΔH_f, kcal/mol:	-95.32
Dipole, Da:	3.52
IP(EA), eV:	-8.52(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-5-fluoro-22-methoxy-2-oxa-9,14,18-triazatricyclo[18.2.2.13,7]pentacosa-1(22),3,5,7(25),20,23-hexaene-10,19-dione

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)N2CCC[C@@]3(C2)CCC[C@H]3OC

DOS

IR

Vibrations