Geometry & MOs

Info

ID:	202281
PubChem CID:	79651028
Reduced:	O2N3C12H19 (1)
Stoich.:	A2B3C12D19 (1)
Weight, g/mol:	266.199428
ΔH_f, kcal/mol:	-71.97
Dipole, Da:	7.7
IP(EA), eV:	-9.34(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[cyclobutylmethyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)NC1(CCC(C1)N2C=CN=C2)C(=O)O

DOS

IR

Vibrations