Geometry & MOs

Info

ID:	379978
PubChem CID:	134964420
Reduced:	H2C3 (6)
Stoich.:	A2B3 (6)
Weight, g/mol:	220.063663
ΔH_f, kcal/mol:	109.92
Dipole, Da:	2.12
IP(EA), eV:	-8.1(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iminobenzo[h]chromene-3-carbonitrile

Drug info:

PubChemData

Smile

C#CC1=C2C=CC3=C4C2=C(CC=C4CC=C3)C=C1

DOS

IR

Vibrations