Geometry & MOs

Info

ID:	448966
PubChem CID:	135294860
Reduced:	O2N3C27H35 (1)
Stoich.:	A2B3C27D35 (1)
Weight, g/mol:	398.278507
ΔH_f, kcal/mol:	4.03
Dipole, Da:	2.9
IP(EA), eV:	-8.61(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4,4-difluorocyclohexyl)methyl]-3-[(1E)-2-(2,4-dimethylcyclobuta-1,3-dien-1-yl)buta-1,3-dienyl]-1-ethyl-4,5-dimethylcyclohexa-1,3-diene

Drug info:

PubChemData

Smile

CCC/C=C\C(CC=C)C1=CN(C2=C1N=CC(=C2)C3=C(ON=C3C)C)CC4CCOCC4

DOS

IR

Vibrations