Geometry & MOs

Info

ID:	331437
PubChem CID:	127248844
Reduced:	O4N5C23H27 (1)
Stoich.:	A4B5C23D27 (1)
Weight, g/mol:	424.202302
ΔH_f, kcal/mol:	-37.52
Dipole, Da:	1.53
IP(EA), eV:	-8.49(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(1-ethylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CCC1=NOC(=C1)C(=O)N2CCOC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)OC)N(C)C

DOS

IR

Vibrations