Geometry & MOs

Info

ID:	57082
PubChem CID:	22395313
Reduced:	N2O5H24C26 (1)
Stoich.:	A2B5C24D26 (1)
Weight, g/mol:	425.0375
ΔH_f, kcal/mol:	-88.41
Dipole, Da:	5.73
IP(EA), eV:	-8.2(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(2-bromo-4,5-dimethoxyphenyl)-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(=O)C3=CC=CC=C3)C4=CC5=C(C(=C4)OC)OCO5

DOS

IR

Vibrations