Geometry & MOs

Info

ID:	202236
PubChem CID:	79644925
Reduced:	ON3C17H31 (1)
Stoich.:	AB3C17D31 (1)
Weight, g/mol:	311.141596
ΔH_f, kcal/mol:	-67.67
Dipole, Da:	3.72
IP(EA), eV:	-8.42(1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(ethylamino)cyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CCNC1(CCC(C1)N(C)CC2CC3CCC2C3)C(=O)N

DOS

IR

Vibrations