Geometry & MOs

Info

ID:	332406
PubChem CID:	127250692
Reduced:	O4N5C23H27 (1)
Stoich.:	A4B5C23D27 (1)
Weight, g/mol:	378.216809
ΔH_f, kcal/mol:	-57.04
Dipole, Da:	1.91
IP(EA), eV:	-8.84(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-[[2-[5-(1-methylpyrazol-4-yl)pyridin-2-yl]morpholin-4-yl]methyl]pyridin-2-amine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CN=C(C=C2)C3CN(CCO3)CC4=CC(=C(C=C4)OCC(=O)N)OC

DOS

IR

Vibrations