Geometry & MOs

Info

ID:	362952
PubChem CID:	127309958
Reduced:	NOC10H11 (2)
Stoich.:	ABC10D11 (2)
Weight, g/mol:	391.212058
ΔH_f, kcal/mol:	-57.11
Dipole, Da:	4.25
IP(EA), eV:	-9.4(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CC2=CC=CC=C2C1NC(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O

DOS

IR

Vibrations