Geometry & MOs

Info

ID:	360317
PubChem CID:	127300960
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	380.167083
ΔH_f, kcal/mol:	-55.21
Dipole, Da:	3.98
IP(EA), eV:	-8.99(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-4-phenyl-1,3-thiazol-5-yl)-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N2CC(CC2=O)C(=O)N3CCCC3C4=C(N(N=C4C)C)C

DOS

IR

Vibrations