Geometry & MOs

Info

ID:	57111
PubChem CID:	22395352
Reduced:	BrN4O4H25C27 (1)
Stoich.:	AB4C4D25E27 (1)
Weight, g/mol:	482.05897
ΔH_f, kcal/mol:	-34.61
Dipole, Da:	7.82
IP(EA), eV:	-8.47(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(3-bromo-4,5-dimethoxyphenyl)-3-cyano-4,7-dihydropyrano[2,3-e]indol-9-yl]amino]acetamide

Drug info:

PubChemData

Smile

CN(C)C1=CC2=C(C=C1)C(C(=C(O2)NC(=O)NC3=CC=CC=C3)C#N)C4=CC(=C(C(=C4)Br)OC)OC

DOS

IR

Vibrations