Geometry & MOs

Info

ID:	423864
PubChem CID:	135120531
Reduced:	O3N4C16H20 (1)
Stoich.:	A3B4C16D20 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-83.95
Dipole, Da:	5.29
IP(EA), eV:	-9.13(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=CC=CN(C3=O)C

DOS

IR

Vibrations