Geometry & MOs

Info

ID:	332775
PubChem CID:	127251085
Reduced:	ON6C25H34 (1)
Stoich.:	AB6C25D34 (1)
Weight, g/mol:	436.258674
ΔH_f, kcal/mol:	39.78
Dipole, Da:	3.0
IP(EA), eV:	-8.28(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[[3-[2-(dimethylamino)-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]-2-ethoxyphenyl]methanol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1CN2CCC(C2)C3=NC(=NC=C3C4=CN(N=C4)C)N(C)C)C)C)OC

DOS

IR

Vibrations