Geometry & MOs

Info

ID:	133841
PubChem CID:	51599798
Reduced:	O2N4C20H33 (1)
Stoich.:	A2B4C20D33 (1)
Weight, g/mol:	291.20591
ΔH_f, kcal/mol:	-75.26
Dipole, Da:	4.63
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752748
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methylpyrazol-3-yl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)N[C@H]2CCC[NH+](C2)C3CCN(CC3)C)C)C(=O)C

DOS

IR

Vibrations