Geometry & MOs

Info

ID:	332762
PubChem CID:	127251072
Reduced:	O2N6C23H28 (1)
Stoich.:	A2B6C23D28 (1)
Weight, g/mol:	434.243024
ΔH_f, kcal/mol:	22.02
Dipole, Da:	5.66
IP(EA), eV:	-8.7(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-(dimethylamino)-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CN=C(N=C2C3CCN(C3)C(=O)C4=CC=C(C=C4)COC)N(C)C

DOS

IR

Vibrations