Geometry & MOs

Info

ID:	186610
PubChem CID:	77453573
Reduced:	IN2O2C20H25 (1)
Stoich.:	AB2C2D20E25 (1)
Weight, g/mol:	498.237939
ΔH_f, kcal/mol:	-69.06
Dipole, Da:	6.31
IP(EA), eV:	-9.48(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[6-acetyl-7-amino-3-(6-phenylpyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one

Drug info:

PubChemData

Smile

C1CC2C(CC1I)C(=O)NCC2C3CCN(C3)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations