Geometry & MOs

Info

ID:	171998
PubChem CID:	75451949
Reduced:	F2N3O4C18H25 (1)
Stoich.:	A2B3C4D18E25 (1)
Weight, g/mol:	295.14331
ΔH_f, kcal/mol:	-206.68
Dipole, Da:	8.01
IP(EA), eV:	-9.32(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzylpyrazol-4-yl)-2-methoxy-6-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC(CC)C(=O)N1CCC(CC1)NC2=C(C=C(C=C2)[N+](=O)[O-])OC(F)F

DOS

IR

Vibrations