Geometry & MOs

Info

ID:	332773
PubChem CID:	127251083
Reduced:	O2N6C23H28 (1)
Stoich.:	A2B6C23D28 (1)
Weight, g/mol:	432.26376
ΔH_f, kcal/mol:	16.07
Dipole, Da:	4.75
IP(EA), eV:	-8.8(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyrrolidin-3-yl]-N,N-dimethyl-5-(1-methylpyrazol-4-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCC(C2)C3=NC(=NC=C3C4=CN(N=C4)C)N(C)C)OC

DOS

IR

Vibrations