Geometry & MOs

Info

ID:	379270
PubChem CID:	134356974
Reduced:	O3N5C25H29 (1)
Stoich.:	A3B5C25D29 (1)
Weight, g/mol:	448.237545
ΔH_f, kcal/mol:	-31.39
Dipole, Da:	3.57
IP(EA), eV:	-8.94(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[7-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyridin-3-yl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)C2=NC=C(C=C2C)NC(=O)CN3CCCC(=C3C(=O)N(C)C4CC4)C=O

DOS

IR

Vibrations