Geometry & MOs

Info

ID:	122564
PubChem CID:	50812596
Reduced:	N5C19H27 (1)
Stoich.:	A5B19C27 (1)
Weight, g/mol:	393.18009
ΔH_f, kcal/mol:	68.76
Dipole, Da:	6.6
IP(EA), eV:	-8.96(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclopentyl]-2,3-dihydro-1,4-benzodioxin-6-amine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N2C(=NN=N2)C3(CCCC3)N4CCCCC4

DOS

IR

Vibrations