Geometry & MOs

Info

ID:	58767
PubChem CID:	24714837
Reduced:	SN2O3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	315.183444
ΔH_f, kcal/mol:	-45.5
Dipole, Da:	4.48
IP(EA), eV:	-9.0(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[cyclopropyl-[(2-methylphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol

Drug info:

PubChemData

Smile

CC(=O)N(CC1=CSC(=N1)COC2=CC=CC=C2OC)C3CC3

DOS

IR

Vibrations