Geometry & MOs

Info

ID:	276284
PubChem CID:	103821934
Reduced:	N3O4C16H25 (1)
Stoich.:	A3B4C16D25 (1)
Weight, g/mol:	308.209993
ΔH_f, kcal/mol:	-127.78
Dipole, Da:	4.96
IP(EA), eV:	-8.75(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-(3-phenoxypropylamino)propyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)[N+](=O)[O-])NCCCNC(=O)OC(C)(C)C

DOS

IR

Vibrations