Geometry & MOs

Info

ID:	403256
PubChem CID:	135059398
Reduced:	NOH7C8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	468.192523
ΔH_f, kcal/mol:	-37.31
Dipole, Da:	5.26
IP(EA), eV:	-9.76(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-[3,5-dichloro-2,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylideneamino]-N-methylmethanamine

Drug info:

PubChemData

Smile

CC1=CC2=C(CC(=O)N(C2=O)CC3=CC=CC=N3)C=C1

DOS

IR

Vibrations