Geometry & MOs

Info

ID:

448111

PubChem CID:

135288548

Reduced:

SN7O9C47H77 (1)

Stoich.:

AB7C9D47E77 (1)

Weight, g/mol:

386.19455

ΔHf, kcal/mol:

-389.43

Dipole, Da:

4.18

IP(EA), eV:

 -9.0(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-amino-1-propoxyguanidine;1-[(E)-(2-chlorophenyl)methylideneamino]-1-propoxyguanidine

Drug info:

PubChemData

Smile

CCC(C)C(C(CC(=O)N1CCC[C@H]1C(C(C)C(=O)NC(CC2=CC=CC=C2)C3=NC=CS3)OC)ON)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)C(C)CCOCCOC(=O)NC

DOS

IR

Vibrations