Geometry & MOs

Info

ID:	392919
PubChem CID:	135018464
Reduced:	ClON4C20H25 (1)
Stoich.:	ABC4D20E25 (1)
Weight, g/mol:	317.199094
ΔH_f, kcal/mol:	-3.96
Dipole, Da:	3.36
IP(EA), eV:	-9.02(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-4-benzyl-3-[(E)-2-methylpent-2-enyl]-6,8-dioxa-3-azabicyclo[3.2.1]octan-7-yl]methanol

Drug info:

PubChemData

Smile

CCC(C(=O)NCC1=CC=C(C=C1)Cl)N(CC=C)C2=NC(=NC(=C2)C)C

DOS

IR

Vibrations