Geometry & MOs

Info

ID:	331298
PubChem CID:	127248705
Reduced:	FON5C26H26 (1)
Stoich.:	ABC5D26E26 (1)
Weight, g/mol:	448.258674
ΔH_f, kcal/mol:	5.12
Dipole, Da:	2.99
IP(EA), eV:	-8.59(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C=C(NC2=CC=C1)C(=O)N3CCC(C3)C4=NC(=NC=C4C5=CC(=CC=C5)F)N(C)C

DOS

IR

Vibrations