Geometry & MOs

Info

ID:	330722
PubChem CID:	127248129
Reduced:	O2N5C24H29 (1)
Stoich.:	A2B5C24D29 (1)
Weight, g/mol:	432.26376
ΔH_f, kcal/mol:	-9.16
Dipole, Da:	2.51
IP(EA), eV:	-8.7(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(4-methylphenyl)-5-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC(C)N1CCC(C1)C2=C(C=NN2C3=CC=CC=C3)CNC(=O)C4=CC(=O)N(C=C4)C

DOS

IR

Vibrations