Geometry & MOs

Info

ID:	331294
PubChem CID:	127248701
Reduced:	ClON6C23H25 (1)
Stoich.:	ABC6D23E25 (1)
Weight, g/mol:	406.24811
ΔH_f, kcal/mol:	44.59
Dipole, Da:	4.23
IP(EA), eV:	-9.15(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-5-(3-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CCN(C2)C(=O)CCC3=CC=C(C=C3)Cl)C4=CN=CN=C4

DOS

IR

Vibrations