Geometry & MOs

Info

ID:	361712
PubChem CID:	127304527
Reduced:	N3O4C21H27 (1)
Stoich.:	A3B4C21D27 (1)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	-120.69
Dipole, Da:	6.13
IP(EA), eV:	-8.78(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-3-oxopropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2CN(CCO2)C(=O)CCC3=CC4=C(C=C3)OCCO4)C

DOS

IR

Vibrations