Geometry & MOs

Info

ID:	436957
PubChem CID:	135213278
Reduced:	SN2C13H26 (1)
Stoich.:	AB2C13D26 (1)
Weight, g/mol:	422.0266
ΔH_f, kcal/mol:	-2.31
Dipole, Da:	4.28
IP(EA), eV:	-8.53(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(3-bromo-5-hydroxy-4-methoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile

Drug info:

PubChemData

Smile

CCC=C(C)C(C)CN(CCN)C(=C)CS

DOS

IR

Vibrations