Geometry & MOs

Info

ID:	126947
PubChem CID:	50985045
Reduced:	O2N4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	209.189198
ΔH_f, kcal/mol:	-10.67
Dipole, Da:	1.64
IP(EA), eV:	-8.79(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pentan-3-amine

Drug info:

PubChemData

Smile

CCOC1=NC=C(C=C1)C2=C(N=CN2CCC(=O)N)C3=CC=CC=C3

DOS

IR

Vibrations