Geometry & MOs

Info

ID:	332938
PubChem CID:	127251362
Reduced:	O3N5C23H29 (1)
Stoich.:	A3B5C23D29 (1)
Weight, g/mol:	448.222289
ΔH_f, kcal/mol:	-73.64
Dipole, Da:	2.38
IP(EA), eV:	-9.36(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-5-[2-methyl-6-[4-[3-(5-methylpyrazol-1-yl)propanoyl]morpholin-2-yl]pyridin-4-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)CN3CCCC3)C4=CN=C(C=C4)C(=O)NC

DOS

IR

Vibrations