Geometry & MOs

Info

ID:	168693
PubChem CID:	75003528
Reduced:	NaPN5O7C18H25 (1)
Stoich.:	ABC5D7E18F25 (1)
Weight, g/mol:	335.184506
ΔH_f, kcal/mol:	-375.03
Dipole, Da:	5.86
IP(EA), eV:	-9.24(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl N-[5-amino-1-(benzylamino)-1,5-dioxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1N=[N+]=[N-])O)C(=O)NCCCCCCC(=CC(C(=O)O)N)CP(=O)(O)[O-].[Na+]

DOS

IR

Vibrations