Geometry & MOs

Info

ID:	29522
PubChem CID:	834706
Reduced:	FON2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	286.190595
ΔH_f, kcal/mol:	-37.29
Dipole, Da:	2.4
IP(EA), eV:	-7.79(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-propyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine

Drug info:

PubChemData

Smile

C1COCCN1C2=CC=C(C=C2)NCC3=CC=CC=C3F

DOS

IR

Vibrations