Geometry & MOs

Info

ID:	57080
PubChem CID:	22395309
Reduced:	ON4C18H18 (1)
Stoich.:	AB4C18D18 (1)
Weight, g/mol:	281.12766
ΔH_f, kcal/mol:	50.25
Dipole, Da:	6.23
IP(EA), eV:	-8.5(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-7-(dimethylamino)-4-(1H-imidazol-2-yl)-4H-chromene-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C2C3=C(C=C(C=C3)N(C)C)OC(=C2C#N)N

DOS

IR

Vibrations