Geometry & MOs

Info

ID:	412981
PubChem CID:	135085923
Reduced:	NOC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	177.143728
ΔH_f, kcal/mol:	1.39
Dipole, Da:	0.55
IP(EA), eV:	-9.17(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaborole-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C/C(=N/OC)/C

DOS

IR

Vibrations