Geometry & MOs

Info

ID:	276247
PubChem CID:	103821676
Reduced:	ClN2O4C16H23 (1)
Stoich.:	AB2C4D16E23 (1)
Weight, g/mol:	308.209993
ΔH_f, kcal/mol:	-190.1
Dipole, Da:	6.07
IP(EA), eV:	-8.64(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations