Geometry & MOs

Info

ID:	344267
PubChem CID:	127267443
Reduced:	FO2N3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	338.120132
ΔH_f, kcal/mol:	-92.97
Dipole, Da:	4.85
IP(EA), eV:	-9.29(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CCC(O1)C(=O)N(C)C(C2=CC=C(C=C2)F)C3=NC=CN3

DOS

IR

Vibrations