Geometry & MOs

Info

ID:	306657
PubChem CID:	125164734
Reduced:	ON4C16H28 (1)
Stoich.:	AB4C16D28 (1)
Weight, g/mol:	248.163711
ΔH_f, kcal/mol:	-40.33
Dipole, Da:	4.48
IP(EA), eV:	-8.72(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(1,5-dimethylpyrazol-4-yl)-2-propyl-2,5-dihydropyrrole-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=CN1CCC(=O)N(C)C[C@@H]2CCN(C2(C)C)C

DOS

IR

Vibrations