Geometry & MOs

Info

ID:	448611
PubChem CID:	135292229
Reduced:	ON3C15H20 (2)
Stoich.:	AB3C15D20 (2)
Weight, g/mol:	399.22704
ΔH_f, kcal/mol:	15.27
Dipole, Da:	6.22
IP(EA), eV:	-8.18(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R)-4-(3-cyano-6-cyclopropyl-5-nitrosopyridin-2-yl)-2-propan-2-ylpiperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1(CC1)CN(CCNC(=O)OC(C)(C)C)C2=NC(=C(C=C2C#N)NC3=NC=CC(=C3)C=C)C4CC4

DOS

IR

Vibrations