Geometry & MOs

Info

ID:	448588
PubChem CID:	135292105
Reduced:	ON2C13H21 (2)
Stoich.:	AB2C13D21 (2)
Weight, g/mol:	491.300873
ΔH_f, kcal/mol:	-84.18
Dipole, Da:	3.93
IP(EA), eV:	-8.58(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyclopropyl-2-[(3R)-4-(1-hydroxy-3-methoxypropyl)-3-methylpiperazin-1-yl]-5-(6-piperazin-1-ylpyridin-3-yl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCN1C(=O)CCO)C2=C(C=C(C(=C2C=C)C(C)C)CC(C)CCC(=N)C)N

DOS

IR

Vibrations