Geometry & MOs

Info

ID:	276259
PubChem CID:	103821787
Reduced:	N3O3C16H25 (1)
Stoich.:	A3B3C16D25 (1)
Weight, g/mol:	331.134362
ΔH_f, kcal/mol:	-150.62
Dipole, Da:	6.58
IP(EA), eV:	-8.52(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-(2,4-difluoro-5-nitroanilino)propyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCNC1=CC=C(C=C1)CC(=O)N

DOS

IR

Vibrations