Geometry & MOs

Info

ID:	186427
PubChem CID:	77430636
Reduced:	N2O3C30H34 (1)
Stoich.:	A2B3C30D34 (1)
Weight, g/mol:	312.133714
ΔH_f, kcal/mol:	-77.17
Dipole, Da:	7.73
IP(EA), eV:	-9.21(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-hydroxy-2-(2,2,2-trifluoroethyl)tricyclo[9.4.0.02,7]pentadeca-1(11),12,14-trien-5-one

Drug info:

PubChemData

Smile

CCC1(CCC2(C(C1)COCC3=C2C=CC(=C3)C(=O)NC4=C(N=CC=C4)C)CC5=CC=CC=C5)O

DOS

IR

Vibrations