Geometry & MOs

Info

ID:	426281
PubChem CID:	135143176
Reduced:	PSN3O3C28H38 (1)
Stoich.:	ABC3D3E28F38 (1)
Weight, g/mol:	312.169859
ΔH_f, kcal/mol:	-68.09
Dipole, Da:	3.5
IP(EA), eV:	-8.1(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-N'-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaen-4-ylmethyl)cyclohexanecarboximidamide

Drug info:

PubChemData

Smile

CCN(C1=C(C(=C(C=C1)C(C2=CC(=C(S2)C)COCC3=CC=C(C=C3)P)C(C)(C)C(=O)OC)C)N)N

DOS

IR

Vibrations