Geometry & MOs

Info

ID:	448594
PubChem CID:	135292139
Reduced:	NC7H9 (4)
Stoich.:	AB7C9 (4)
Weight, g/mol:	505.284161
ΔH_f, kcal/mol:	113.46
Dipole, Da:	2.4
IP(EA), eV:	-8.21(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1N2CCCC(NC(C2)C3CC3)C4CC4)C5CC5)C6=CC=CC(=N6)C=C

DOS

IR

Vibrations