Geometry & MOs

Info

ID:	126237
PubChem CID:	50956290
Reduced:	O2N3H11C13 (1)
Stoich.:	A2B3C11D13 (1)
Weight, g/mol:	364.201159
ΔH_f, kcal/mol:	56.28
Dipole, Da:	5.48
IP(EA), eV:	-8.41(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-2-[4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]pyrimidine

Drug info:

PubChemData

Smile

CC1=NN(C=C1)C2=C/C(=C\3/C=CNO3)/C(=O)C=C2

DOS

IR

Vibrations