Geometry & MOs

Info

ID:	331174
PubChem CID:	127248581
Reduced:	O2N6C23H30 (1)
Stoich.:	A2B6C23D30 (1)
Weight, g/mol:	440.233602
ΔH_f, kcal/mol:	28.59
Dipole, Da:	2.52
IP(EA), eV:	-8.57(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-[5-[2-(4-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]methyl]-N,N-dimethylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)CC3=CN=C(N=C3)N(C)C)CCOC4=CC=CC=C4

DOS

IR

Vibrations