Geometry & MOs

Info

ID:	196392
PubChem CID:	78819138
Reduced:	N2O2C10H11 (2)
Stoich.:	A2B2C10D11 (2)
Weight, g/mol:	261.15896
ΔH_f, kcal/mol:	-33.43
Dipole, Da:	6.01
IP(EA), eV:	-9.02(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methoxypyrimidin-2-amine

Drug info:

PubChemData

Smile

CCNC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations