Geometry & MOs

Info

ID:	14590
PubChem CID:	415523
Reduced:	O2N5C13H26 (1)
Stoich.:	A2B5C13D26 (1)
Weight, g/mol:	284.20865
ΔH_f, kcal/mol:	-59.19
Dipole, Da:	4.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751016
Charge, e:	1

Chem-info

IUPAC name:

2-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)amino]ethyl-dimethyl-propylazanium

Drug info:

PubChemData

Smile

CCC[N+](C)(C)CCNC1=C(N(C(=O)N(C1=O)C)C)N

DOS

IR

Vibrations