Geometry & MOs

Info

ID:	439598
PubChem CID:	135229374
Reduced:	SN4C14H22 (1)
Stoich.:	AB4C14D22 (1)
Weight, g/mol:	437.217538
ΔH_f, kcal/mol:	43.04
Dipole, Da:	5.21
IP(EA), eV:	-8.25(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=N)C2CCN(CC2)C3=NC=CS3

DOS

IR

Vibrations