Geometry & MOs

Info

ID:	229850
PubChem CID:	87569361
Reduced:	N3O3H23C26 (1)
Stoich.:	A3B3C23D26 (1)
Weight, g/mol:	355.139528
ΔH_f, kcal/mol:	-22.92
Dipole, Da:	3.57
IP(EA), eV:	-8.7(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1R,6S)-3-formyl-6-(2,4,5-trifluorophenyl)cyclohex-3-en-1-yl]carbamate

Drug info:

PubChemData

Smile

CC1=NC2=C(N1)C=C(C=C2)C3=CC4=C(C=C3)OCCN(C4)C(=O)C5=CC=C(C=C5)CC=O

DOS

IR

Vibrations