Geometry & MOs

Info

ID:	331315
PubChem CID:	127248722
Reduced:	ON6C25H34 (1)
Stoich.:	AB6C25D34 (1)
Weight, g/mol:	448.258674
ΔH_f, kcal/mol:	36.94
Dipole, Da:	2.96
IP(EA), eV:	-8.49(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)CN2CCC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)OC)N(C)C)C

DOS

IR

Vibrations