Geometry & MOs

Info

ID:	368391
PubChem CID:	127328299
Reduced:	SO2N4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	339.169525
ΔH_f, kcal/mol:	-7.65
Dipole, Da:	2.46
IP(EA), eV:	-8.91(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)C3(CCCC3)SC4=CC=CC=C4

DOS

IR

Vibrations