Geometry & MOs

Info

ID:	320584
PubChem CID:	126661936
Reduced:	NO2S2F3C26H26 (1)
Stoich.:	AB2C2D3E26F26 (1)
Weight, g/mol:	220.182715
ΔH_f, kcal/mol:	-168.91
Dipole, Da:	6.37
IP(EA), eV:	-9.31(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]heptanal

Drug info:

PubChemData

Smile

C1CCC(C[C@@H](C1)CCC(=O)C(F)(F)F)C2=CC=CC=C2CC(=O)C3=CSC(=N3)C4=CC=CS4

DOS

IR

Vibrations