Geometry & MOs

Info

ID:	340193
PubChem CID:	127262202
Reduced:	O2N3C13H15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	401.311438
ΔH_f, kcal/mol:	-21.88
Dipole, Da:	5.54
IP(EA), eV:	-9.51(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxoethyl N-[4-[[(3R)-3-aminobutyl]amino]-2-[6-(diaminomethylideneamino)hexylamino]butyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN(C)C(=O)OC2=CC=NN2

DOS

IR

Vibrations