Geometry & MOs

Info

ID:	257398
PubChem CID:	103145825
Reduced:	ClFN3O4H9C12 (1)
Stoich.:	ABC3D4E9F12 (1)
Weight, g/mol:	308.221226
ΔH_f, kcal/mol:	-109.48
Dipole, Da:	7.18
IP(EA), eV:	-10.0(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-(1H-imidazol-5-ylmethylamino)cycloheptyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)N2C(=O)C(=C(NC2=O)Cl)F

DOS

IR

Vibrations