Geometry & MOs

Info

ID:	57101
PubChem CID:	22395338
Reduced:	BrN3O3H16C19 (1)
Stoich.:	AB3C3D16E19 (1)
Weight, g/mol:	439.05315
ΔH_f, kcal/mol:	-9.51
Dipole, Da:	8.5
IP(EA), eV:	-8.52(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(2-bromo-4,5-dimethoxyphenyl)-8-methyl-4,7-dihydropyrano[2,3-e]indole-3-carbonitrile

Drug info:

PubChemData

Smile

CN(C)C1=CC2=C(C=C1)C(C(=C(O2)N)C#N)C3=CC4=C(C=C3Br)OCO4

DOS

IR

Vibrations