Geometry & MOs

Info

ID:	448222
PubChem CID:	135289380
Reduced:	O2N5C17H23 (1)
Stoich.:	A2B5C17D23 (1)
Weight, g/mol:	534.183795
ΔH_f, kcal/mol:	-42.13
Dipole, Da:	2.21
IP(EA), eV:	-8.41(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-(5-acetylthiophen-2-yl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-yl]pentanamide

Drug info:

PubChemData

Smile

CN([C@@H]1C[C@H]2CCN(C[C@@H]2C1)C(=O)OC)C3=NC=NC4=C3C=CN4

DOS

IR

Vibrations