Geometry & MOs

Info

ID:	377926
PubChem CID:	134223992
Reduced:	NO6C23H27 (1)
Stoich.:	AB6C23D27 (1)
Weight, g/mol:	317.199094
ΔH_f, kcal/mol:	-192.77
Dipole, Da:	10.01
IP(EA), eV:	-8.92(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-cyclopenta-2,4-dien-1-yloxy-4-methoxyphenyl)-4-methoxy-3,3-dimethylbutan-2-amine

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)OC)OC4COC4)C(C)C

DOS

IR

Vibrations