Geometry & MOs

Info

ID:	231799
PubChem CID:	87574680
Reduced:	NO4C21H23 (1)
Stoich.:	AB4C21D23 (1)
Weight, g/mol:	353.162708
ΔH_f, kcal/mol:	-118.31
Dipole, Da:	4.25
IP(EA), eV:	-9.44(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)N(C1=CC=C(C=C1)/C=C/C2=CC(=C(C=C2)C=O)OC)C(=O)O

DOS

IR

Vibrations