Geometry & MOs

Info

ID:	308954
PubChem CID:	126532528
Reduced:	N3O7C15H24 (1)
Stoich.:	A3B7C15D24 (1)
Weight, g/mol:	476.207307
ΔH_f, kcal/mol:	-269.88
Dipole, Da:	6.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.863996
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-2-[5-[(3E)-3-(4-pyridin-4-ylpyrrolo[3,2-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]oxyethanamine

Drug info:

PubChemData

Smile

CCOC(=O)C(CC/C(=C/[N+]#N)/O)NC(=O)OCCOC(=O)C(C)C

DOS

IR

Vibrations