Geometry & MOs

Info

ID:	401984
PubChem CID:	135053698
Reduced:	ON2C25H26 (1)
Stoich.:	AB2C25D26 (1)
Weight, g/mol:	409.337676
ΔH_f, kcal/mol:	30.8
Dipole, Da:	2.12
IP(EA), eV:	-8.71(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[1,3-bis[di(propan-2-yl)amino]-1,3,2-diazaborolidin-2-yl]-2-phenylbut-2-enenitrile

Drug info:

PubChemData

Smile

CCN(CC)[C@]1(C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations