Geometry & MOs

Info

ID:	276256
PubChem CID:	103821771
Reduced:	N3O4C15H23 (1)
Stoich.:	A3B4C15D23 (1)
Weight, g/mol:	309.168856
ΔH_f, kcal/mol:	-114.58
Dipole, Da:	5.59
IP(EA), eV:	-8.82(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-(2-methyl-3-nitroanilino)propyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NCCCNC(=O)OC(C)(C)C)[N+](=O)[O-]

DOS

IR

Vibrations