Geometry & MOs

Info

ID:	276275
PubChem CID:	103821892
Reduced:	N3O3C17H23 (1)
Stoich.:	A3B3C17D23 (1)
Weight, g/mol:	322.225643
ΔH_f, kcal/mol:	-101.76
Dipole, Da:	6.56
IP(EA), eV:	-8.35(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[3-(2-methylpropoxy)anilino]propyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCNC1=CC=C(C=C1)C2=CN=CO2

DOS

IR

Vibrations