Geometry & MOs

Info

ID:	447767
PubChem CID:	135285494
Reduced:	N3C7H14 (2)
Stoich.:	A3B7C14 (2)
Weight, g/mol:	611.211487
ΔH_f, kcal/mol:	37.73
Dipole, Da:	8.39
IP(EA), eV:	-8.01(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-[3-[amino(methylsulfonyl)methyl]-5-fluorophenyl]indol-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-yl]-2-(dimethylamino)acetamide

Drug info:

PubChemData

Smile

CCCCCCCCN1CN(C=C1)C.C(#N)N=C(N)N

DOS

IR

Vibrations