Geometry & MOs

Info

ID:	231798
PubChem CID:	87574679
Reduced:	O2F3N5H18C21 (1)
Stoich.:	A2B3C5D18E21 (1)
Weight, g/mol:	353.162708
ΔH_f, kcal/mol:	-111.87
Dipole, Da:	2.87
IP(EA), eV:	-8.69(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[4-[(E)-2-(4-formyl-3-methoxyphenyl)ethenyl]phenyl]carbamic acid

Drug info:

PubChemData

Smile

C1=CC(NC=C1)(CNC(=O)C2=CN3C(=NN(C3=O)CC(F)F)C=C2)C4=CC=C(C=C4)F

DOS

IR

Vibrations