Geometry & MOs

Info

ID:	172162
PubChem CID:	75473035
Reduced:	ClFO2N3C15H19 (1)
Stoich.:	ABC2D3E15F19 (1)
Weight, g/mol:	382.164105
ΔH_f, kcal/mol:	-116.88
Dipole, Da:	2.68
IP(EA), eV:	-9.78(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-(4-ethoxyphenyl)triazol-1-yl]azetidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)F)Cl)NC(=O)NCC(=O)NCC2CC2

DOS

IR

Vibrations