Geometry & MOs

Info

ID:	43607
PubChem CID:	10321538
Reduced:	ON4C29H30 (1)
Stoich.:	AB4C29D30 (1)
Weight, g/mol:	450.285558
ΔH_f, kcal/mol:	50.38
Dipole, Da:	4.62
IP(EA), eV:	-8.65(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[5-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzamide

Drug info:

PubChemData

Smile

C1CN2CCC1[C@@H]([C@@H]2CC3=CN=CC=C3)NC(=O)C4=CN(C5=CC=CC=C54)CC6=CC=CC=C6

DOS

IR

Vibrations