Geometry & MOs

Info

ID:	276255
PubChem CID:	103821765
Reduced:	ClN2O4C16H23 (1)
Stoich.:	AB2C4D16E23 (1)
Weight, g/mol:	309.168856
ΔH_f, kcal/mol:	-189.76
Dipole, Da:	4.59
IP(EA), eV:	-8.79(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-(4-methyl-3-nitroanilino)propyl]carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations