Geometry & MOs

Info

ID:	439690
PubChem CID:	135229492
Reduced:	NOH41C60 (1)
Stoich.:	ABC41D60 (1)
Weight, g/mol:	185.121592
ΔH_f, kcal/mol:	195.96
Dipole, Da:	1.28
IP(EA), eV:	-7.96(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5Z,7E)-3-amino-7-fluoro-4-methylidenenona-5,7-dien-1-ol

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=CC(=C4)C5=CC=CC=C5)C6=CC=CC7=C6C8=CC=CC=C8C79C1=C(C2=CC=CC=C2C=C1)OC1=C9C=CC2=CC=CC=C21)C

DOS

IR

Vibrations