Geometry & MOs

Info

ID:	332754
PubChem CID:	127251064
Reduced:	O3N4C26H28 (1)
Stoich.:	A3B4C26D28 (1)
Weight, g/mol:	376.237545
ΔH_f, kcal/mol:	-32.92
Dipole, Da:	3.56
IP(EA), eV:	-8.32(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCCC2=C1C=CC(=C2)C(=O)N3CCOC(C3)C4=NC(=CN=C4)C5=CC=C(C=C5)OC

DOS

IR

Vibrations