Geometry & MOs

Info

ID:	193122
PubChem CID:	78347197
Reduced:	BNO2C10H12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	552.263565
ΔH_f, kcal/mol:	-26.14
Dipole, Da:	6.41
IP(EA), eV:	-8.48(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-fluorophenyl)methyl-[(4-oxo-4a,5,6,7,8,8a-hexahydrochromen-3-yl)methyl]amino]-2-oxoethyl]-3-methoxy-N-(3-methoxypropyl)benzamide

Drug info:

PubChemData

Smile

[B]N(C1=CC=C(C=C1)OCC)C(=O)C

DOS

IR

Vibrations