Geometry & MOs

Info

ID:	363142
PubChem CID:	127310175
Reduced:	O3N5C18H19 (1)
Stoich.:	A3B5C18D19 (1)
Weight, g/mol:	380.196074
ΔH_f, kcal/mol:	-32.22
Dipole, Da:	9.05
IP(EA), eV:	-8.98(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)C3=CN=C4C=CC=CN4C3=O

DOS

IR

Vibrations