Geometry & MOs

Info

ID:	146975
PubChem CID:	53776873
Reduced:	NO2C14H21 (1)
Stoich.:	AB2C14D21 (1)
Weight, g/mol:	330.136828
ΔH_f, kcal/mol:	-76.38
Dipole, Da:	3.8
IP(EA), eV:	-8.17(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-imino-4-(4-methoxyphenyl)-3,4,5,6-tetrahydrobenzo[h]chromene-3-carbonitrile

Drug info:

PubChemData

Smile

COC1=C2CCC(CC2=C(C=C1)OC)CCN

DOS

IR

Vibrations