Geometry & MOs

Info

ID:	130171
PubChem CID:	51075139
Reduced:	O3N4C13H20 (1)
Stoich.:	A3B4C13D20 (1)
Weight, g/mol:	325.100874
ΔH_f, kcal/mol:	-81.56
Dipole, Da:	8.07
IP(EA), eV:	-9.21(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine

Drug info:

PubChemData

Smile

CC1=NOC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)N

DOS

IR

Vibrations