Geometry & MOs

Info

ID:	332761
PubChem CID:	127251071
Reduced:	ON3C12H13 (2)
Stoich.:	AB3C12D13 (2)
Weight, g/mol:	420.227374
ΔH_f, kcal/mol:	41.96
Dipole, Da:	1.32
IP(EA), eV:	-8.66(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-(dimethylamino)-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=C(OC2=CC=CC=C12)C(=O)N3CCC(C3)C4=NC(=NC=C4C5=CN(N=C5)C)N(C)C

DOS

IR

Vibrations