Geometry & MOs

Info

ID:	442992
PubChem CID:	135257304
Reduced:	NC15H23 (1)
Stoich.:	AB15C23 (1)
Weight, g/mol:	333.216475
ΔH_f, kcal/mol:	29.48
Dipole, Da:	2.61
IP(EA), eV:	-9.53(1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[3-[(Z)-2-aminoethenyl]pyrazin-2-yl]-4-methylpiperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

C/C(=C\CC[C@@H]1C2CC3C1(C3C2)C)/CC=N

DOS

IR

Vibrations