Geometry & MOs

Info

ID:	218157
PubChem CID:	85088964
Reduced:	ON2C13H17 (2)
Stoich.:	AB2C13D17 (2)
Weight, g/mol:	435.144689
ΔH_f, kcal/mol:	-39.64
Dipole, Da:	9.19
IP(EA), eV:	-7.94(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(cyclopropylmethyl)-4a-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] methyl hydrogen phosphate

Drug info:

PubChemData

Smile

CCCCN1C(=C2C(=C1C)C(=O)N(C2=O)CC=CCN3CCN(CC3)C4=CC=CC=C4)C

DOS

IR

Vibrations