Geometry & MOs

Info

ID:	255520
PubChem CID:	103132683
Reduced:	NC5H9 (3)
Stoich.:	AB5C9 (3)
Weight, g/mol:	263.236148
ΔH_f, kcal/mol:	3.21
Dipole, Da:	3.8
IP(EA), eV:	-8.59(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-ethyl-2-(1-methylpyrazol-3-yl)cyclohexyl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCC1CCC(C(C1)C2=NN(C=C2)C)CNCC

DOS

IR

Vibrations