Geometry & MOs

Info

ID:	46562
PubChem CID:	10525245
Reduced:	NO2C24H33 (1)
Stoich.:	AB2C24D33 (1)
Weight, g/mol:	403.07831
ΔH_f, kcal/mol:	-63.31
Dipole, Da:	2.23
IP(EA), eV:	-8.56(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2,2-dimethylchromen-7-amine

Drug info:

PubChemData

Smile

CN1CCCC1CCOC2=CC=CC=C2CCCCC3=CC(=CC=C3)OC

DOS

IR

Vibrations