Geometry & MOs

Info

ID:	305980
PubChem CID:	124994937
Reduced:	ON5C16H19 (1)
Stoich.:	AB5C16D19 (1)
Weight, g/mol:	402.216809
ΔH_f, kcal/mol:	29.43
Dipole, Da:	3.53
IP(EA), eV:	-9.14(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-1-yl-[(3R)-3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=NN2)C(=O)N3CCC[C@H]3C4=NC=CN=C4

DOS

IR

Vibrations