Geometry & MOs

Info

ID:	448207
PubChem CID:	135289255
Reduced:	SN5H19C25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	481.202637
ΔH_f, kcal/mol:	183.4
Dipole, Da:	9.06
IP(EA), eV:	-8.28(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-fluoro-5-[(2Z)-2-[5-(1H-pyrazol-4-yl)-1,2-dihydroindazol-3-ylidene]pyrrolo[3,2-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)C2=CC\3=C(C=C2)NN/C3=C\4/C=C5C(=N4)C=CN=C5C6=CC=C(S6)C

DOS

IR

Vibrations