Geometry & MOs

Info

ID:	308934
PubChem CID:	126532064
Reduced:	SN7H17C22 (1)
Stoich.:	AB7C17D22 (1)
Weight, g/mol:	397.165108
ΔH_f, kcal/mol:	213.67
Dipole, Da:	4.82
IP(EA), eV:	-8.48(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[5-[(3E)-3-pyrrolo[2,3-c]pyridin-2-ylidene-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]propanamide

Drug info:

PubChemData

Smile

CC1=NC=C(N1C)C2=NC\3=C(C=C2)NN/C3=C/4\C=C5C(=N4)C=CN=C5C6=CC=CS6

DOS

IR

Vibrations