Geometry & MOs

Info

ID:	255581
PubChem CID:	103133136
Reduced:	ON2C16H18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	221.152812
ΔH_f, kcal/mol:	-1.69
Dipole, Da:	4.39
IP(EA), eV:	-9.41(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpyrazol-3-yl)-(3-propylpyrrolidin-3-yl)methanone

Drug info:

PubChemData

Smile

C1CC(CC(C1)N)C(=O)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations