Geometry & MOs

Info

ID:	169039
PubChem CID:	75058265
Reduced:	O7C26H40 (1)
Stoich.:	A7B26C40 (1)
Weight, g/mol:	405.227709
ΔH_f, kcal/mol:	-368.43
Dipole, Da:	7.43
IP(EA), eV:	-10.04(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[3-[amino-(propan-2-ylamino)methylidene]-6-oxocyclohexa-1,4-dien-1-yl]triazol-4-yl]-N'-propan-2-ylbenzenecarboximidamide

Drug info:

PubChemData

Smile

CC(C)C(=O)OCC1CC23CC1CCC2C4(CCCC(C4CC3O)(COC(=O)C)C(=O)O)C

DOS

IR

Vibrations