Geometry & MOs

Info

ID:	421971
PubChem CID:	135116936
Reduced:	ON3C22H31 (1)
Stoich.:	AB3C22D31 (1)
Weight, g/mol:	338.174276
ΔH_f, kcal/mol:	-35.3
Dipole, Da:	4.41
IP(EA), eV:	-8.63(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(1-methylindol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C)C3C[C@H]4CC(C[C@H]4C3)N(C)C

DOS

IR

Vibrations