Geometry & MOs

Info

ID:	146039
PubChem CID:	53626889
Reduced:	ON2C12H16 (2)
Stoich.:	AB2C12D16 (2)
Weight, g/mol:	298.179361
ΔH_f, kcal/mol:	4.03
Dipole, Da:	4.64
IP(EA), eV:	-9.21(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-phenylacetamide

Drug info:

PubChemData

Smile

C1CCC(N(CC1)C(=O)C2=CC=CC=C2)C3CCN(CC3)CC4=NC(=NO4)C5CC5

DOS

IR

Vibrations