Geometry & MOs

Info

ID:	368233
PubChem CID:	127327784
Reduced:	OSN5C16H23 (1)
Stoich.:	ABC5D16E23 (1)
Weight, g/mol:	376.168145
ΔH_f, kcal/mol:	14.68
Dipole, Da:	5.46
IP(EA), eV:	-8.89(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylpyrazol-4-yl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CSC(=N1)NC(=O)N2CCC(C2)C3=CN(N=C3)C

DOS

IR

Vibrations