Geometry & MOs

Info

ID:	298474
PubChem CID:	117650064
Reduced:	O2C17H26 (1)
Stoich.:	A2B17C26 (1)
Weight, g/mol:	462.215472
ΔH_f, kcal/mol:	-109.3
Dipole, Da:	2.76
IP(EA), eV:	-8.54(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3S)-3,4-dihydroxybutyl]-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C=C1)CC2CCCC2O)OC

DOS

IR

Vibrations