Geometry & MOs

Info

ID:	363385
PubChem CID:	127310922
Reduced:	FON5C19H26 (1)
Stoich.:	ABC5D19E26 (1)
Weight, g/mol:	313.153875
ΔH_f, kcal/mol:	-31.0
Dipole, Da:	6.55
IP(EA), eV:	-8.86(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclopropylpyrimidin-4-yl)-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=C(C=C(C=C2)C(=O)NCC3CN(CCN3C)C)F)C

DOS

IR

Vibrations