Geometry & MOs

Info

ID:	233420
PubChem CID:	90271483
Reduced:	BN2O7C18H19 (1)
Stoich.:	AB2C7D18E19 (1)
Weight, g/mol:	520.269908
ΔH_f, kcal/mol:	-302.12
Dipole, Da:	11.29
IP(EA), eV:	-9.14(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-(4-methylpiperazin-1-yl)benzimidazol-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-yl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

B1(C(CC2=C(O1)C(=CC=C2)C(=O)O)NC(=O)C3=CC(=C(C=C3)OCCN)O)O

DOS

IR

Vibrations