Geometry & MOs

Info

ID:	57112
PubChem CID:	22395353
Reduced:	BrN4O4H19C22 (1)
Stoich.:	AB4C4D19E22 (1)
Weight, g/mol:	376.109089
ΔH_f, kcal/mol:	-40.05
Dipole, Da:	7.6
IP(EA), eV:	-8.49(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C2C3=C(C4=C(C=C3)NC=C4NCC(=O)N)OC=C2C#N)Br)OC

DOS

IR

Vibrations