Geometry & MOs

Info

ID:	363389
PubChem CID:	127310926
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	327.169525
ΔH_f, kcal/mol:	-13.37
Dipole, Da:	1.81
IP(EA), eV:	-8.82(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclopropylpyrimidin-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCC(CC2)CNC(=O)C3=NC(=NC=C3)C4CC4)C

DOS

IR

Vibrations