Geometry & MOs

Info

ID:	332500
PubChem CID:	127250786
Reduced:	ClO3N5C21H24 (1)
Stoich.:	AB3C5D21E24 (1)
Weight, g/mol:	408.227374
ΔH_f, kcal/mol:	-34.18
Dipole, Da:	2.85
IP(EA), eV:	-9.04(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-5-[[2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]morpholin-4-yl]methyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C(=O)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC=CC=C4Cl

DOS

IR

Vibrations