Geometry & MOs

Info

ID:	448603
PubChem CID:	135292168
Reduced:	FO2N6C24H29 (1)
Stoich.:	AB2C6D24E29 (1)
Weight, g/mol:	481.222623
ΔH_f, kcal/mol:	1.42
Dipole, Da:	3.49
IP(EA), eV:	-8.94(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyclopropyl-5-(2-ethenylquinoxalin-5-yl)-2-[3-methyl-4-(3-nitrosopropanoyl)piperazin-1-yl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCN1C(=O)CCOC)C2=NC(=C(C=C2C#N)C3=NC(C(C=N3)F)C=C)C4CC4

DOS

IR

Vibrations