Geometry & MOs

Info

ID:	168075
PubChem CID:	74920848
Reduced:	NO5C30H31 (1)
Stoich.:	AB5C30D31 (1)
Weight, g/mol:	447.240959
ΔH_f, kcal/mol:	-119.36
Dipole, Da:	5.52
IP(EA), eV:	-8.49(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-3-[6-methoxy-3-(3-methoxyphenyl)-7-methyl-1-benzofuran-5-yl]but-2-enamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC(=C1OC)C(=CC(=O)NCCC3=CC(=CC=C3)OC)C)C(=CO2)C4=CC=C(C=C4)OC

DOS

IR

Vibrations