Geometry & MOs

Info

ID:	255523
PubChem CID:	103132701
Reduced:	N3C17H31 (1)
Stoich.:	A3B17C31 (1)
Weight, g/mol:	277.251798
ΔH_f, kcal/mol:	-6.68
Dipole, Da:	3.75
IP(EA), eV:	-8.61(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1CCC(C(C1)C2=NN(C=C2)C)CNCCC

DOS

IR

Vibrations