Geometry & MOs

Info

ID:	80372
PubChem CID:	49834193
Reduced:	OF3N5C14H18 (1)
Stoich.:	AB3C5D14E18 (1)
Weight, g/mol:	267.129552
ΔH_f, kcal/mol:	-116.47
Dipole, Da:	4.61
IP(EA), eV:	-9.19(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-difluorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine

Drug info:

PubChemData

Smile

CC1=NN(N=N1)C(CCN(C)C)C2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations