Geometry & MOs

Info

ID:	57108
PubChem CID:	22395348
Reduced:	O2N3C26H33 (1)
Stoich.:	A2B3C26D33 (1)
Weight, g/mol:	416.03717
ΔH_f, kcal/mol:	-26.48
Dipole, Da:	8.89
IP(EA), eV:	-8.41(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile

Drug info:

PubChemData

Smile

CCCCCCCCOC1=CC=C(C=C1)C2C3=C(C=C(C=C3)N(C)C)OC(=C2C#N)N

DOS

IR

Vibrations