Geometry & MOs

Info

ID:	320336
PubChem CID:	126659563
Reduced:	NOC12H16 (2)
Stoich.:	ABC12D16 (2)
Weight, g/mol:	435.06455
ΔH_f, kcal/mol:	-61.67
Dipole, Da:	2.0
IP(EA), eV:	-8.48(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E,5E)-1-(4-bromophenyl)-4,4-difluoro-6-phenyl-1-(propan-2-ylideneamino)oxyhexa-1,5-dien-3-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C3C=CN(C3=NC(=C2C(C)OC(C)(C)C)C)CCOC

DOS

IR

Vibrations