Geometry & MOs

Info

ID:	176584
PubChem CID:	76069477
Reduced:	SN2O3C11H14 (2)
Stoich.:	AB2C3D11E14 (2)
Weight, g/mol:	235.204848
ΔH_f, kcal/mol:	-203.09
Dipole, Da:	9.45
IP(EA), eV:	-9.02(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[amino(butyl)amino]-1-phenylbutan-2-amine

Drug info:

PubChemData

Smile

CSCCC(C(=O)O)NC(=O)COC1=C(C=CC(=N1)C2=CC(=CC=C2)C(=O)O)NCC(CS)N

DOS

IR

Vibrations