Geometry & MOs

Info

ID:	232361
PubChem CID:	87576073
Reduced:	OF2N9C26H32 (1)
Stoich.:	AB2C9D26E32 (1)
Weight, g/mol:	203.163377
ΔH_f, kcal/mol:	12.3
Dipole, Da:	3.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.845005
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(3,4-diaminobutyl)carbamate

Drug info:

PubChemData

Smile

CCC1=NC2=CC=CC=C2N1C3=NC4=C(C(=N3)N5CCOCC5)N=C(N4C)C[N+]6(CC(C6)(F)F)C7CNC7

DOS

IR

Vibrations