Geometry & MOs

Info

ID:

68641

PubChem CID:

46508820

Reduced:

BrO2N5C24H28 (1)

Stoich.:

AB2C5D24E28 (1)

Weight, g/mol:

496.257337

ΔHf, kcal/mol:

14.77

Dipole, Da:

0.61

IP(EA), eV:

 -8.78(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C)Br

DOS

IR

Vibrations