Geometry & MOs

Info

ID:	185748
PubChem CID:	77343473
Reduced:	O3N5C21H29 (1)
Stoich.:	A3B5C21D29 (1)
Weight, g/mol:	418.190835
ΔH_f, kcal/mol:	-108.24
Dipole, Da:	2.17
IP(EA), eV:	-8.69(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-difluoro-1-[4-[2-fluoro-4-(4-prop-1-enylcyclohexen-1-yl)phenyl]phenyl]-4-methylbenzene

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1CCC3C2C(NC3)CCN4C(=O)C5CNCNC5NC4=O

DOS

IR

Vibrations