Geometry & MOs

Info

ID:	275874
PubChem CID:	103818570
Reduced:	ClFON2C16H16 (1)
Stoich.:	ABCD2E16F16 (1)
Weight, g/mol:	321.205242
ΔH_f, kcal/mol:	-58.89
Dipole, Da:	4.11
IP(EA), eV:	-8.6(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[5-(ethylcarbamoyl)-2-methylanilino]ethyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NCC2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations