Geometry & MOs

Info

ID:	440132
PubChem CID:	135230032
Reduced:	O2N3C12H22 (1)
Stoich.:	A2B3C12D22 (1)
Weight, g/mol:	217.18305
ΔH_f, kcal/mol:	-50.38
Dipole, Da:	2.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.790300
Charge, e:	0

Chem-info

IUPAC name:

N-buta-1,3-dien-2-yl-1-(1-cyclopropylcyclopropyl)cyclopentan-1-amine

Drug info:

PubChemData

Smile

CN=[N+]=NCCCCC1(CCCC1)C(=O)OC

DOS

IR

Vibrations