Geometry & MOs

Info

ID:	366308
PubChem CID:	127319765
Reduced:	SO2N6C18H20 (1)
Stoich.:	AB2C6D18E20 (1)
Weight, g/mol:	349.165108
ΔH_f, kcal/mol:	2.66
Dipole, Da:	2.68
IP(EA), eV:	-8.91(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N=C1C)C)C2=NC(=C(S2)C(=O)N3CCN4C=CN=C4C3)C

DOS

IR

Vibrations