Geometry & MOs

Info

ID:	350361
PubChem CID:	127277439
Reduced:	ON6C15H22 (1)
Stoich.:	AB6C15D22 (1)
Weight, g/mol:	392.224597
ΔH_f, kcal/mol:	26.6
Dipole, Da:	7.04
IP(EA), eV:	-8.47(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carbonyl]-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=NC2=C(C=NN2C=C1)C(=O)NCCN3CCN(CC3)C

DOS

IR

Vibrations