Geometry & MOs

Info

ID:	290593
PubChem CID:	109758720
Reduced:	IOF2N3C17H22 (1)
Stoich.:	ABC2D3E17F22 (1)
Weight, g/mol:	379.225977
ΔH_f, kcal/mol:	-72.43
Dipole, Da:	3.06
IP(EA), eV:	-9.14(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-[(2-phenylmethoxyphenyl)methyl]guanidine

Drug info:

PubChemData

Smile

CN=C(NC1CC2CCC1O2)NC3CC3C4=C(C=CC=C4F)F.I

DOS

IR

Vibrations