Geometry & MOs

Info

ID:	249066
PubChem CID:	103086590
Reduced:	SN5C13H21 (1)
Stoich.:	AB5C13D21 (1)
Weight, g/mol:	263.154624
ΔH_f, kcal/mol:	76.34
Dipole, Da:	4.85
IP(EA), eV:	-9.15(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]tetrazol-5-yl]-N-methylethanamine

Drug info:

PubChemData

Smile

CC1=CSC=C1CN2C(=NN=N2)C(C)NCC(C)C

DOS

IR

Vibrations