Geometry & MOs

Info

ID:	448255
PubChem CID:	135289642
Reduced:	FO2N6H21C28 (1)
Stoich.:	AB2C6D21E28 (1)
Weight, g/mol:	394.100066
ΔH_f, kcal/mol:	51.51
Dipole, Da:	5.81
IP(EA), eV:	-8.42(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(5-pyrimidin-5-yl-1,2-dihydroindazol-3-ylidene)-4-thiophen-2-ylpyrrolo[3,2-c]pyridine

Drug info:

PubChemData

Smile

CCC(=O)NC1=CN=CC(=C1)C2=CC\3=C(C=C2)NN/C3=C\4/C=C5C(=N4)C=CN=C5C6=CC(=CC(=C6)F)O

DOS

IR

Vibrations