Geometry & MOs

Info

ID:	59340
PubChem CID:	24816414
Reduced:	N4C37H72 (1)
Stoich.:	A4B37C72 (1)
Weight, g/mol:	398.211804
ΔH_f, kcal/mol:	-109.98
Dipole, Da:	5.06
IP(EA), eV:	-8.76(2.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide

Drug info:

PubChemData

Smile

C[C@H](CCCC(C)C)C1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(CC[C@@H](C4)NCCCNCCCCNCCCN)C)C

DOS

IR

Vibrations