Geometry & MOs

Info

ID:	155037
PubChem CID:	56314828
Reduced:	ON6C26H30 (1)
Stoich.:	AB6C26D30 (1)
Weight, g/mol:	414.151433
ΔH_f, kcal/mol:	60.49
Dipole, Da:	9.16
IP(EA), eV:	-8.86(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methylphenyl)pyrrolidin-1-yl]-[2-(1-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=NN1C2=CC=CC=C2C(C)C)C(=O)NC3=CC=CC(=C3)CN4C=CN=C4C(C)C

DOS

IR

Vibrations