Geometry & MOs

Info

ID:	332755
PubChem CID:	127251065
Reduced:	N3C11H14 (2)
Stoich.:	A3B11C14 (2)
Weight, g/mol:	342.253195
ΔH_f, kcal/mol:	98.51
Dipole, Da:	2.54
IP(EA), eV:	-8.59(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CN=C(N=C2C3CCN(C3)CCC4=CC=CC=C4)N(C)C

DOS

IR

Vibrations