Geometry & MOs

Info

ID:	432222
PubChem CID:	135172354
Reduced:	O2N3C10H15 (1)
Stoich.:	A2B3C10D15 (1)
Weight, g/mol:	411.249507
ΔH_f, kcal/mol:	-55.85
Dipole, Da:	11.86
IP(EA), eV:	-9.11(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z,3Z)-1-ethoxy-2-[1-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-3-propan-2-ylpyrazolo[3,4-b]pyridin-6-yl]buta-1,3-diene-1,4-diamine

Drug info:

PubChemData

Smile

CC(C)/C(=C/1\C(=CC(=O)N=C1NC)O)/N

DOS

IR

Vibrations