Geometry & MOs

Info

ID:	217614
PubChem CID:	85088106
Reduced:	BrO3N5C14H16 (1)
Stoich.:	AB3C5D14E16 (1)
Weight, g/mol:	382.105253
ΔH_f, kcal/mol:	-55.57
Dipole, Da:	2.23
IP(EA), eV:	-9.22(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-formyl-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-1-benzofuran-5-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1(OC2C(O1)C(OC2C(=C)Br)N3C=NC4=C(N=CN=C43)N)C

DOS

IR

Vibrations