Geometry & MOs

Info

ID:	376905
PubChem CID:	134222937
Reduced:	FO3N8C25H29 (1)
Stoich.:	AB3C8D25E29 (1)
Weight, g/mol:	456.206485
ΔH_f, kcal/mol:	-74.64
Dipole, Da:	5.2
IP(EA), eV:	-9.41(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,7-dimethyl-9-[(4-methylphenyl)methyl]-9-[[4-(trifluoromethyl)phenyl]methyl]fluorene

Drug info:

PubChemData

Smile

CC1CNCCC1NC(=O)C2CC(CN2C(=O)CN3C4=C(C=C(C=C4)C5=CN=NC=C5)C(=N3)C(=O)N)F

DOS

IR

Vibrations