Geometry & MOs

Info

ID:	333152
PubChem CID:	127251700
Reduced:	O2N6C23H30 (1)
Stoich.:	A2B6C23D30 (1)
Weight, g/mol:	448.222289
ΔH_f, kcal/mol:	-7.84
Dipole, Da:	9.0
IP(EA), eV:	-8.85(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,6-dimethoxyphenyl)methyl]-2-[2-methyl-3-(pyrazol-1-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine

Drug info:

PubChemData

Smile

CC1=NN2C(=CC=NC2=C1CN3C=CN=C3C)C4CN(CCO4)C(=O)CC5CCCC5

DOS

IR

Vibrations