Geometry & MOs

Info

ID:	379197
PubChem CID:	134356714
Reduced:	NOC9H15 (1)
Stoich.:	ABC9D15 (1)
Weight, g/mol:	557.281361
ΔH_f, kcal/mol:	-45.57
Dipole, Da:	3.05
IP(EA), eV:	-8.82(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[4-[[[4-[[4-(dimethylamino)phenyl]diazenyl]cyclohexa-1,5-diene-1-carbonyl]amino]methyl]-2,6-difluorocyclohexa-2,4-dien-1-yl]oxyethyl]carbamate

Drug info:

PubChemData

Smile

C/C=C\CC=C(C)NC(=O)C

DOS

IR

Vibrations