Geometry & MOs

Info

ID:	255522
PubChem CID:	103132691
Reduced:	N3C17H31 (1)
Stoich.:	A3B17C31 (1)
Weight, g/mol:	277.251798
ΔH_f, kcal/mol:	-12.33
Dipole, Da:	3.64
IP(EA), eV:	-8.51(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations