Geometry & MOs

Info

ID:	331311
PubChem CID:	127248718
Reduced:	O2N5C26H31 (1)
Stoich.:	A2B5C26D31 (1)
Weight, g/mol:	432.26376
ΔH_f, kcal/mol:	-3.97
Dipole, Da:	3.39
IP(EA), eV:	-8.74(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-methoxyphenyl)-N,N-dimethyl-4-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CCN(C2)C(=O)CCCC3=CC=CC=N3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations