Geometry & MOs

Info

ID:	330145
PubChem CID:	127247132
Reduced:	N4C15H20 (1)
Stoich.:	A4B15C20 (1)
Weight, g/mol:	273.15896
ΔH_f, kcal/mol:	50.11
Dipole, Da:	4.84
IP(EA), eV:	-9.06(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-imidazol-1-yl-1-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)CN2CCC(C2)C3=C(C=NN3)C

DOS

IR

Vibrations