Geometry & MOs

Info

ID:	447716
PubChem CID:	135285038
Reduced:	O3N8C23H28 (1)
Stoich.:	A3B8C23D28 (1)
Weight, g/mol:	509.24269
ΔH_f, kcal/mol:	-35.25
Dipole, Da:	9.84
IP(EA), eV:	-8.7(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(2R)-4-(3-cyano-6-cyclopropyl-5-isoquinolin-5-ylpyridin-2-yl)-2-methylpiperazine-1-carbonyl]cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C1CC(N(C1)C2=NC=NC3=C2NC=N3)COC4=CC=CC5=C4CN(CC5)C(=O)[C@@H](CC(=O)N)N

DOS

IR

Vibrations