Geometry & MOs

Info

ID:	57090
PubChem CID:	22395323
Reduced:	N3O4H19C24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	378.169191
ΔH_f, kcal/mol:	-25.46
Dipole, Da:	5.96
IP(EA), eV:	-8.49(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-7-(diethylamino)-4-(4-methyl-3-nitrophenyl)-4H-chromene-3-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC(=CC2=C1OCO2)C3C4=C(C=C(C=C4)NC5=CC=CC=C5)OC(=C3C#N)N

DOS

IR

Vibrations