Geometry & MOs

Info

ID:	404294
PubChem CID:	135065762
Reduced:	PO3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	293.162708
ΔH_f, kcal/mol:	-128.37
Dipole, Da:	5.19
IP(EA), eV:	-9.75(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(furan-2-ylmethyl)-2-oxoazepane-1-carboxylate

Drug info:

PubChemData

Smile

CC(CCOC(=O)C)P(=O)(C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations