Geometry & MOs

Info

ID:	434887
PubChem CID:	135175922
Reduced:	NC13H25 (1)
Stoich.:	AB13C25 (1)
Weight, g/mol:	360.252526
ΔH_f, kcal/mol:	-17.87
Dipole, Da:	1.44
IP(EA), eV:	-9.24(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[3-(propan-2-ylamino)piperidin-1-yl]-4-(2-prop-2-enoyl-2,6-diazabicyclo[3.2.0]heptan-6-yl)but-2-en-1-one

Drug info:

PubChemData

Smile

CCC(CC(C)C)CN=C/C(=C/C)/C

DOS

IR

Vibrations