Geometry & MOs

Info

ID:	392188
PubChem CID:	135013579
Reduced:	N2O3C30H43 (1)
Stoich.:	A2B3C30D43 (1)
Weight, g/mol:	262.221644
ΔH_f, kcal/mol:	-107.97
Dipole, Da:	3.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.030994
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[2-[di(propan-2-yl)amino]-5-methyl-5-propyloxaborolan-3-ylidene]acetonitrile

Drug info:

PubChemData

Smile

CC1(C2CCC(C2)(C1OC(=O)[N+]3=C(C=C(C=C3)N(C)C)[C@H](C(C)(C)C)OCC4=CC=CC=C4)C)C

DOS

IR

Vibrations