Geometry & MOs

Info

ID:	361734
PubChem CID:	127304550
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	383.232125
ΔH_f, kcal/mol:	-39.97
Dipole, Da:	5.45
IP(EA), eV:	-8.85(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-(2-piperidin-1-ylpyridin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2CN(CCO2)C(=O)C3=CC4=C(N3)C=C(C=C4)C(C)(C)C)C

DOS

IR

Vibrations