Geometry & MOs

Info

ID:	175467
PubChem CID:	75909258
Reduced:	N3O3C23H31 (1)
Stoich.:	A3B3C23D31 (1)
Weight, g/mol:	389.224046
ΔH_f, kcal/mol:	-94.28
Dipole, Da:	7.33
IP(EA), eV:	-8.38(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-[[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]methyl]-3-methylcyclohexyl]-dimethylazanium

Drug info:

PubChemData

Smile

CC1CCCC(C1)(CNC(=O)C2=CC(=C(C=C2)C)NC(=O)C3=CC=CO3)N(C)C

DOS

IR

Vibrations