Geometry & MOs

Info

ID:	57102
PubChem CID:	22395339
Reduced:	BrN3O3H18C21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	475.319878
ΔH_f, kcal/mol:	-12.48
Dipole, Da:	8.15
IP(EA), eV:	-8.34(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-7-(dimethylamino)-4-(4-dodecoxyphenyl)-4H-chromene-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(N1)C=CC3=C2OC(=C(C3C4=CC(=C(C=C4Br)OC)OC)C#N)N

DOS

IR

Vibrations