Geometry & MOs

Info

ID:	448597
PubChem CID:	135292149
Reduced:	ON6C23H24 (1)
Stoich.:	AB6C23D24 (1)
Weight, g/mol:	491.268511
ΔH_f, kcal/mol:	113.05
Dipole, Da:	4.86
IP(EA), eV:	-9.11(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyclopropyl-2-[3-cyclopropyl-4-(1-cyclopropylidene-3-hydroxypropyl)piperazin-1-yl]-5-isoquinolin-5-ylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C=CC1=CC(=NC=N1)C2=C(N=C(C(=C2)C#N)N3CCN(CC3)C(=O)C4CC4)C5CC5

DOS

IR

Vibrations