Geometry & MOs

Info

ID:	128175
PubChem CID:	51033590
Reduced:	F2N4O5C33H46 (1)
Stoich.:	A2B4C5D33E46 (1)
Weight, g/mol:	454.186572
ΔH_f, kcal/mol:	-336.23
Dipole, Da:	5.79
IP(EA), eV:	-9.59(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-cyano-2-phenylimidazo[1,2-a]pyridin-7-yl)-2-methyl-4-(piperazine-1-carbonyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCC(=O)NC(CC1=C(C=CC(=C1)F)F)CC(=O)NCC(C)(C)CNC(=O)C(C(CC2=CC=CC=C2)NC(=O)CCC)O

DOS

IR

Vibrations