Geometry & MOs

Info

ID:	309819
PubChem CID:	126560672
Reduced:	NF2O4C19H25 (1)
Stoich.:	AB2C4D19E25 (1)
Weight, g/mol:	431.17461
ΔH_f, kcal/mol:	-299.92
Dipole, Da:	5.55
IP(EA), eV:	-9.81(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[(3Z)-3-[4-(furan-3-yl)pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]cyclohexa-1,3-dien-5-yn-1-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1(CCC(CC1)(F)F)C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations