Geometry & MOs

Info

ID:	222553
PubChem CID:	85305511
Reduced:	BrO3C18H25 (1)
Stoich.:	AB3C18D25 (1)
Weight, g/mol:	369.157623
ΔH_f, kcal/mol:	-101.23
Dipole, Da:	4.88
IP(EA), eV:	-9.95(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,15,16-trimethoxy-20-methyl-6,8-dioxa-20-azapentacyclo[10.7.1.02,10.05,9.013,18]icosa-2,4,9,13,15,17-hexaene

Drug info:

PubChemData

Smile

CC1=CC(=O)C2C1(C3CC2(C4C3OC(O4)(C)C)C)CCCBr

DOS

IR

Vibrations